Journal Description
Molbank
Molbank
is an international, peer-reviewed, open access journal comprised of a unique collection of one-compound-per-paper short notes on synthetic compounds and natural products published quarterly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, ESCI (Web of Science), Reaxys, CAPlus / SciFinder, and other databases.
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 15.5 days after submission; acceptance to publication is undertaken in 2.6 days (median values for papers published in this journal in the second half of 2023).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
Impact Factor:
0.6 (2023)
Latest Articles
5(S)-((3aR,4R,6aR)-2,2-Dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-2-phenyl-4,5-dihydrooxazole
Molbank 2024, 2024(3), M1843; https://doi.org/10.3390/M1843 (registering DOI) - 28 Jun 2024
Abstract
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5(S)-((3aR,4R,6aR)-2,2-Dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-2-phenyl-4,5-dihydrooxazole was synthesized from isosorbide in a three-step sequence, with an overall yield of 46%. The first reaction step involves a single regioselective ring-opening reaction of isosorbide with Me3SiI in the presence of
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5(S)-((3aR,4R,6aR)-2,2-Dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-2-phenyl-4,5-dihydrooxazole was synthesized from isosorbide in a three-step sequence, with an overall yield of 46%. The first reaction step involves a single regioselective ring-opening reaction of isosorbide with Me3SiI in the presence of acetone followed by an intramolecular nucleophilic substitution to transform the iodoalcohol into its corresponding epoxide. The last reaction allows the formation of the oxazoline ring directly from the epoxide with benzonitrile in the presence of BF3·Et2O.
Full article
Open AccessShort Note
Perfluoro-3-ethyl-1,2,3,10b-tetrahydrofluoranthene
by
Vladislav V. Komarov, Vyacheslav I. Krasnov, Victor M. Karpov, Dmitriy A. Parkhomenko and Tatyana V. Mezhenkova
Molbank 2024, 2024(3), M1842; https://doi.org/10.3390/M1842 - 25 Jun 2024
Abstract
The title compound was synthesized from perfluoro-1-ethyltetralin and 1,2,3,4-tetrafluorobenzene under the action of antimony pentafluoride as a mixture of cis- and trans-isomers in a 71% isolated yield. The structure and cis-/trans-configuration of the isomers were determined by NMR
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The title compound was synthesized from perfluoro-1-ethyltetralin and 1,2,3,4-tetrafluorobenzene under the action of antimony pentafluoride as a mixture of cis- and trans-isomers in a 71% isolated yield. The structure and cis-/trans-configuration of the isomers were determined by NMR (19F, 13C), 19F–19F COSY, and 19F–19F NOESY 2D NMR spectroscopy.
Full article
(This article belongs to the Section Organic Synthesis)
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Open AccessCommunication
Ethyl 5-Hydroxy-2-methyl-1-(pyridin-2-ylmethyl)benzo[g]indole-3-carboxylate
by
Giuseppe Satta, Silvia Gaspa, Lidia De Luca, Luisa Pisano and Massimo Carraro
Molbank 2024, 2024(3), M1840; https://doi.org/10.3390/M1840 - 24 Jun 2024
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Indole ring is widely represented in natural compounds, as well as in a great variety of drugs. In this paper, the synthesis of a 5-hydroxybenzoindole derivative carrying a pyridyl substituent on position 1 is reported. The method involved no chromatography for purification and
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Indole ring is widely represented in natural compounds, as well as in a great variety of drugs. In this paper, the synthesis of a 5-hydroxybenzoindole derivative carrying a pyridyl substituent on position 1 is reported. The method involved no chromatography for purification and used solvents and catalysts of very low toxicity.
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Open AccessCommunication
Structural Elucidation of a New Puzzling Compound Emerged from Doebner Quinoline Synthesis
by
Cristina Maria Al-Matarneh and Alina Nicolescu
Molbank 2024, 2024(3), M1841; https://doi.org/10.3390/M1841 - 24 Jun 2024
Abstract
The quinoline ring is found in many biologically active natural alkaloids and is still being highly exploited by researchers due to its numerous potential applications in fields ranging from pharmacology to material science. During our synthetic attempts for new quinoline-4-carboxylic acids, using an
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The quinoline ring is found in many biologically active natural alkaloids and is still being highly exploited by researchers due to its numerous potential applications in fields ranging from pharmacology to material science. During our synthetic attempts for new quinoline-4-carboxylic acids, using an extended version of the Doebner reaction, a new puzzling compound emerged when para-iodine aniline was reacted with salicylaldehyde and pyruvic acid in acetic acid as a reaction medium. The chemical structure of this new compound was established based on the information obtained from 1D and 2D NMR experiments (1H-, 13C-, and 15N-NMR), corroborated with MS spectrometry and IR spectroscopy. The photophysical properties (UV–vis and fluorescence) were also investigated. The proposed structure contains as the main elements a 1,4-dioxane-2,5-dione core symmetrically substituted with a propylidene chain that has attached to it a salicylaldehyde fragment and a pyrrole-2-one ring containing two 4-iodophenyl fragments. The isolation of this compound, reported here for the first time, is direct evidence that unexpected compounds can emerge from “classical” synthetic pathways when the right components are combined.
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(This article belongs to the Section Structure Determination)
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Graphical abstract
Open AccessCommunication
N-Methoxycarbonyl-9,12-Dimethoxy-Norchelerythrine: A Novel Antifungal Type-III Benzo[c]phenanthridine from Zanthoxylum simulans Hance Seedlings
by
Diego Cárdenas-Laverde, Diego Quiroga and Ericsson Coy-Barrera
Molbank 2024, 2024(2), M1839; https://doi.org/10.3390/M1839 - 21 Jun 2024
Abstract
Zanthoxylum simulans Hance, commonly known as Sichuan pepper, is a well-known medicinal plant recognized for its potential as a source of bioactive specialized metabolites. As part of our interest in natural antifungal compounds, the present study describes the discovery of an unreported N
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Zanthoxylum simulans Hance, commonly known as Sichuan pepper, is a well-known medicinal plant recognized for its potential as a source of bioactive specialized metabolites. As part of our interest in natural antifungal compounds, the present study describes the discovery of an unreported N-alcoxycarbonylbenzo[c]phenanthridinium salt, N-methoxycarbonyl-9,12-dimethoxy-norchelerythrine 1 (a type-III benzo[c]phenanthridine), isolated from Z. simulans seedlings, which were propagated under controlled greenhouse conditions. Six-month seedlings were harvested and subjected to cold acid–base extraction. Chromatographic techniques achieved the isolation of 1 from raw alkaloid extract. The structural elucidation of 1 was accomplished through comprehensive spectroscopic analysis, including nuclear magnetic resonance and high-resolution mass spectrometry. Fusarium oxysporum, a fungal pathogen responsible for substantial agricultural losses, was exposed to different concentrations of the novel compound, exhibiting potent antifungal efficacy (IC50 < 3 µM) and fungicide effects. These findings highlight the potential of benzophenanthridines as antifungal leads and underscore the importance of exploring natural products for agricultural applications.
Full article
(This article belongs to the Section Natural Products)
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Open AccessCommunication
Synthesis of 2-[(3,4,5-Triphenyl)phenyl]acetic Acid and Derivatives
by
Monika Mazik and Pierre Seidel
Molbank 2024, 2024(2), M1837; https://doi.org/10.3390/M1837 - 20 Jun 2024
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New phenylacetic acid derivatives with potentially valuable biological activities and the ability to act as starting materials for various functionalizations have been prepared by a multi-step synthesis. Starting from 2,6-dibromo-4-methylaniline, the synthetic route involves the construction of the basic aromatic structure (3,4,5-triphenyltoluene) (two
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New phenylacetic acid derivatives with potentially valuable biological activities and the ability to act as starting materials for various functionalizations have been prepared by a multi-step synthesis. Starting from 2,6-dibromo-4-methylaniline, the synthetic route involves the construction of the basic aromatic structure (3,4,5-triphenyltoluene) (two steps), followed by its conversion into 2-[(3,4,5-triphenyl)phenyl]acetic acid and derivatives (up to five steps). Based on this multi-step synthesis, five compounds not previously reported in the literature were synthesized; the literature-known 3,4,5-triphenyltoluene was synthesized for the first time in the manner described. This synthesis is applicable for the preparation of numerous new representatives of this class of compounds.
Full article
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Graphical abstract
Open AccessShort Note
2-{(E)-{{(R)-1-[(1R,5S,6R)-3,3-Dimethyl-2,4,7-trioxabicyclo[3.3.0]octan-6-yl]ethyl}imino}methyl}-6-{[(diphenylphosphino)oxy] phenyl}palladium(II) chloride
by
Stéphane Guillarme and Christine Saluzzo
Molbank 2024, 2024(2), M1838; https://doi.org/10.3390/M1838 - 20 Jun 2024
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An unsymmetrical PCN palladium pincer complex 2-{(E)-{{(R)-1-[(1R,5S,6R)-3,3-dimethyl-2,4,7-trioxabicyclo[3.3.0]octan-6-yl]ethyl}imino}methyl}-6-{[(diphenylphosphino)oxy] phenyl}palladium(II) chloride based on an iminophosphinite ligand bearing two fused five-membered cycles, one of which containing a THF ring, was prepared in an eight-reaction sequence from
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An unsymmetrical PCN palladium pincer complex 2-{(E)-{{(R)-1-[(1R,5S,6R)-3,3-dimethyl-2,4,7-trioxabicyclo[3.3.0]octan-6-yl]ethyl}imino}methyl}-6-{[(diphenylphosphino)oxy] phenyl}palladium(II) chloride based on an iminophosphinite ligand bearing two fused five-membered cycles, one of which containing a THF ring, was prepared in an eight-reaction sequence from a sustainable and enantiopure starting material, isosorbide, in a 20% overall yield.
Full article
![](https://pub.mdpi-res.com/molbank/molbank-2024-M1838/article_deploy/html/images/molbank-2024-M1838-ag-550.jpg?1718888504)
Graphical abstract
Open AccessShort Note
5,10,15,20-Tetrakis-(4-(3-carbamoyl-pyridyl)-methylphenyl)porphyrin Bromide
by
Giuseppe Satta, Silvia Gaspa, Luisa Pisano, Lidia De Luca and Massimo Carraro
Molbank 2024, 2024(2), M1836; https://doi.org/10.3390/M1836 - 13 Jun 2024
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The synthesis of a new tetracationic porphyrin derivative is described. Contrary to the best known derivatives in the literature, which are derived from 5,10,15,20-tetrakis-4-pyridylporphyrin (TPyP), in this procedure we start from 5,10,15,20-tetrakis-(4-carboxymethoxyphenyl)porphyrin (TPPCOOMe), obtained by the condensation reaction between pyrrole and 4-formylbenzoate. The
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The synthesis of a new tetracationic porphyrin derivative is described. Contrary to the best known derivatives in the literature, which are derived from 5,10,15,20-tetrakis-4-pyridylporphyrin (TPyP), in this procedure we start from 5,10,15,20-tetrakis-(4-carboxymethoxyphenyl)porphyrin (TPPCOOMe), obtained by the condensation reaction between pyrrole and 4-formylbenzoate. The reaction is carried out in refluxed xylene, avoiding the use of halogenated solvents. The final product, 5,10,15,20-tetrakis-(4-(3-carbamoyl-pyridyl)-methylphenyl)porphyrin bromide (P15p), exhibits four cationic portions that make it soluble in water and suitable for G4 stabilization. The choice to synthesize a derivative of TPPCOOMe is based on the idea of having a possible stabilizer that, unlike those obtained from TPyP, shows the cationic moieties farther from the porphyrin core and thus closer to the phosphate groups present on the G4 loops.
Full article
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Open AccessShort Note
(S)-1-Methyl-2-oxoimidazolidine-4-carboxylic Acid
by
Ashley L. Dey, Majid Motevalli, Isaac Abrahams and Peter B. Wyatt
Molbank 2024, 2024(2), M1835; https://doi.org/10.3390/M1835 - 12 Jun 2024
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(S)-1-Methyl-2-oxoimidazolidine-4-carboxylic acid 1 is an analog of (S)-pyroglutamic acid, a key component of naturally occurring peptide hormones and synthetic pharmaceutical candidates. The reaction of (S)-2-amino-3-(methylamino)propionic acid with COCl2 and aqueous NaHCO3 followed by ion exchange
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(S)-1-Methyl-2-oxoimidazolidine-4-carboxylic acid 1 is an analog of (S)-pyroglutamic acid, a key component of naturally occurring peptide hormones and synthetic pharmaceutical candidates. The reaction of (S)-2-amino-3-(methylamino)propionic acid with COCl2 and aqueous NaHCO3 followed by ion exchange afforded 1, which was recrystallized from acetonitrile and then characterized by IR, 1H NMR, 13C NMR, polarimetry, elemental microanalysis, high-resolution mass spectrometry and single-crystal X-ray diffraction. The acid 1 crystallized in the orthorhombic chiral space group P212121 with cell constants a = 6.2275(4) Å, b = 8.3963(5) Å, c = 24.9490(14) Å. The X-ray crystal structure revealed that two distinct conformers of 1 occur at alternating positions within helices which are supported by hydrogen bonds. Each molecule of 1 is linked to its two neighbors in the helix by a total of three hydrogen bonds, and four molecules of 1 are contained within each turn of the helix. The pattern of hydrogen bonds illustrates a preference for the carboxylic acid group to act as a hydrogen bond donor and for the urea unit to be a hydrogen bond acceptor.
Full article
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Graphical abstract
Open AccessShort Note
[(N-benzamidomethyl)(N-benzoyl)amino]methyltriphenylphosphonium Tetrafluoroborate
by
Jakub Adamek, Wiktoria Kaczmarczyk and Dawid Sapia
Molbank 2024, 2024(2), M1834; https://doi.org/10.3390/M1834 - 7 Jun 2024
Abstract
In this study, [(N-benzamidomethyl)(N-benzoyl)amino]methyltriphenylphosphonium tetrafluoroborate was synthesized at 80 °C, starting from N-benzoylaminomethyltriphenylphosphonium tetrafluoroborate, by a specific α-amidoalkylation reaction using Hünig’s base as a catalyst. N-benzoylaminomethyltriphenylphosphonium tetrafluoroborate acts as both an amidoalkylating agent and a nucleophile precursor.
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In this study, [(N-benzamidomethyl)(N-benzoyl)amino]methyltriphenylphosphonium tetrafluoroborate was synthesized at 80 °C, starting from N-benzoylaminomethyltriphenylphosphonium tetrafluoroborate, by a specific α-amidoalkylation reaction using Hünig’s base as a catalyst. N-benzoylaminomethyltriphenylphosphonium tetrafluoroborate acts as both an amidoalkylating agent and a nucleophile precursor. The structure of the compound obtained was confirmed by spectroscopic methods (1H-, 13C-, 31P-NMR, IR) and HR-MS analysis.
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(This article belongs to the Section Organic Synthesis)
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Open AccessCommunication
A New Method for the Synthesis of 1-(1-Isocyanoethyl)adamantane
by
Dmitry Pitushkin and Gennady Butov
Molbank 2024, 2024(2), M1833; https://doi.org/10.3390/M1833 - 6 Jun 2024
Abstract
A novel single-step method has been developed for the synthesis of 1-(1-isocyanoethyl)adamantane from 1-(1-adamantylethyl)amine, chloroform, and t-BuOK, in a dichloromethane/tert-butanol (1:1) medium, yielding 92%, which is 27% higher compared to the known method, without the use of highly toxic compounds.
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A novel single-step method has been developed for the synthesis of 1-(1-isocyanoethyl)adamantane from 1-(1-adamantylethyl)amine, chloroform, and t-BuOK, in a dichloromethane/tert-butanol (1:1) medium, yielding 92%, which is 27% higher compared to the known method, without the use of highly toxic compounds. The product was characterized using 1H and 13C NMR spectroscopy, GC-MS, and elemental analysis.
Full article
(This article belongs to the Section Organic Synthesis)
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Open AccessShort Note
Dichloro-μ2,μ2-naphthalene-1,8-diyl-bis(N,N,N′,N′-tetramethylethylenediamino)tetracopper(I)
by
Matthew J. Ray, Maria Laura Saviantoni, Alexandra M. Z. Slawin, David B. Cordes and Petr Kilian
Molbank 2024, 2024(2), M1832; https://doi.org/10.3390/M1832 - 5 Jun 2024
Abstract
A highly reactive dicuprate/CuCl aggregate, Nap(Cu4Cl2)(TMEDA)2 (2, Nap = naphthalene-1,8-diyl, TMEDA = tetramethylethylenediamine), was synthesized by the reaction of 1,8-dilithionaphthalene(TMEDA)2 with four equivalents of CuCl. The X-ray crystal structure of this complex shows that the
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A highly reactive dicuprate/CuCl aggregate, Nap(Cu4Cl2)(TMEDA)2 (2, Nap = naphthalene-1,8-diyl, TMEDA = tetramethylethylenediamine), was synthesized by the reaction of 1,8-dilithionaphthalene(TMEDA)2 with four equivalents of CuCl. The X-ray crystal structure of this complex shows that the four copper atoms form a bent parallelogram-shaped core, with terminally bonded chlorine atoms. The naphthalene ring is bonded through carbons in the 1 and 8 positions (peri-positions), each bridging two copper atoms.
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(This article belongs to the Section Structure Determination)
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Graphical abstract
Open AccessCommunication
Introducing Bis(5-(Trifluoromethyl)pyridin-2-yl)amine Chelating Unit via Pd-Catalyzed Amination
by
Nikolay A. Korinskiy, Anton S. Abel, Violetta A. Ionova, Stanislav I. Bezzubov, Alexei D. Averin and Irina P. Beletskaya
Molbank 2024, 2024(2), M1831; https://doi.org/10.3390/M1831 - 4 Jun 2024
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We report a one-step synthesis of trifluoromethyl-substituted di(pyridin-2-yl)amine-based ligands. N-(hetero)aryl-substituted bis(5-(trifluoromethyl)pyridin-2-yl)amines were obtained from 2-bromo-5-(trifluoromethyl)pyridine and corresponding aromatic amines via Pd-catalyzed amination reaction in the presence of a Pd(dba)2/BINAP catalytic system. Four new ligands were prepared in good to high
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We report a one-step synthesis of trifluoromethyl-substituted di(pyridin-2-yl)amine-based ligands. N-(hetero)aryl-substituted bis(5-(trifluoromethyl)pyridin-2-yl)amines were obtained from 2-bromo-5-(trifluoromethyl)pyridine and corresponding aromatic amines via Pd-catalyzed amination reaction in the presence of a Pd(dba)2/BINAP catalytic system. Four new ligands were prepared in good to high yields and characterized by NMR, IR spectroscopies and mass spectrometry. The structure of one of the products was additionally supported by X-ray analysis.
Full article
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Open AccessShort Note
(±)-R,S-2-Chloro-N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-phenylacetamide
by
Diyana Dimitrova, Stanimir Manolov, Dimitar Bojilov, Iliyan Ivanov and Paraskev Nedialkov
Molbank 2024, 2024(2), M1830; https://doi.org/10.3390/M1830 - 3 Jun 2024
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In this study, we report the synthesis of (±)-2-chloro-N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-phenylacetamide through the reaction of 7-amino-4-methyl-2H-chromen-2-one with (±)-2-chloro-2-phenylacetyl chloride. The in vitro anti-inflammatory activity of the new compound was evaluated, and the results indicated that it exhibited superior activity
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In this study, we report the synthesis of (±)-2-chloro-N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-phenylacetamide through the reaction of 7-amino-4-methyl-2H-chromen-2-one with (±)-2-chloro-2-phenylacetyl chloride. The in vitro anti-inflammatory activity of the new compound was evaluated, and the results indicated that it exhibited superior activity compared to the standard, ibuprofen. The bio-functional hybrid compound underwent thorough detailed characterization utilizing 1H and 13C NMR, UV, and mass spectral analysis.
Full article
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Open AccessShort Note
Ethyl 4-((11-(Hexylamino)-11-oxoundecyl)oxy)benzoate
by
Jorge Jesús Montes-Patiño, Nancy Patricia Díaz-Zavala, Samuel Zapién-Castillo, Philippe J. Mésini, Jessica Ismalé Lozano-Navarro, Lorena Margarita Salas-Ordaz and Marco Antonio Aguirre-Lam
Molbank 2024, 2024(2), M1829; https://doi.org/10.3390/M1829 - 27 May 2024
Abstract
Ethyl 4-((11-(hexylamino)-11-oxoundecyl)oxy)benzoate was synthesized using 11-bromoundecanoic acid hexylamide and commercially available ethyl 4-hydroxybenzoate through a Williamson etherification synthesis. The structural characterization was performed using UV-Vis, FT-IR, 1H-NMR, 13C-NMR, and HRMS.
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(This article belongs to the Section Organic Synthesis)
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Graphical abstract
Open AccessShort Note
Hept-6-en-1-yl Furan-2-carboxylate
by
Zhongwei Wang, Lin Song and Yukun Qin
Molbank 2024, 2024(2), M1828; https://doi.org/10.3390/M1828 - 27 May 2024
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This study aims to develop an efficient and green one-pot method for the synthesis of 6-en-1-yl furan-2-carboxylic acid heptyl ester. Initially, using furfural as the starting substrate, hept-6-en-1-yl furan-2-carboxylate was prepared using a one-pot method. This study developed a new experimental scheme for
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This study aims to develop an efficient and green one-pot method for the synthesis of 6-en-1-yl furan-2-carboxylic acid heptyl ester. Initially, using furfural as the starting substrate, hept-6-en-1-yl furan-2-carboxylate was prepared using a one-pot method. This study developed a new experimental scheme for preparing ester compounds, using cuprous chloride as a catalyst and tert butyl hydrogen peroxide as an oxidant to prepare furoic acid. Without the need for intermediate treatment, the target product can be directly obtained from furfural by adding 7-bromo-1-heptene, TBAB, and potassium carbonate. This method effectively utilizes furfural as a platform chemical, demonstrating its potential for synthesizing high-value chemicals. The entire synthesis process is simple and efficient, following the principles of green chemistry.
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Open AccessCommunication
Synthesis and Antibacterial Studies of a New Au(III) Complex with 6-Methyl-2-Thioxo-2,3-Dihydropyrimidin-4(1H)-One
by
Petya Marinova, Nikola Burdzhiev, Denica Blazheva and Aleksandar Slavchev
Molbank 2024, 2024(2), M1827; https://doi.org/10.3390/M1827 - 24 May 2024
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This article describes the synthesis of a new metal complex using 6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The compound was analyzed using several methods, including determining its melting point and employing UV-Vis, IR, ATR, 1H NMR, HSQC, and Raman spectroscopy for the free ligand. The
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This article describes the synthesis of a new metal complex using 6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The compound was analyzed using several methods, including determining its melting point and employing UV-Vis, IR, ATR, 1H NMR, HSQC, and Raman spectroscopy for the free ligand. The metal complex was formed by combining aqueous solutions of metal salts with the ligand dissolved in DMSO and water, along with NaOH in a metal-to-ligand-to-base ratio of 1:4:2. The NMR signals of the ligand were assigned using 1H-1H COSY, DEPT-135, HMBC, and HMQC spectra. Furthermore, the compound’s antimicrobial activity against Gram-positive and Gram-negative bacteria, as well as yeasts, was assessed.
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Open AccessCommunication
Structural Modification of Epigallocatechin-3-gallate to (2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl l-valinate in Four Steps
by
Xiaoman Yu, Zimo Ren, Paolo Coghi and Jerome P. L. Ng
Molbank 2024, 2024(2), M1826; https://doi.org/10.3390/M1826 - 23 May 2024
Abstract
Tea is a daily drink for most people, and one of its major ingredients, epigallocatechin-3-gallate (EGCG), has been widely recognized as a potent antioxidant with diverse biological activities. However, its low stability and bioavailability hinder its further clinical applications. In this study, we
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Tea is a daily drink for most people, and one of its major ingredients, epigallocatechin-3-gallate (EGCG), has been widely recognized as a potent antioxidant with diverse biological activities. However, its low stability and bioavailability hinder its further clinical applications. In this study, we designed and synthesized a novel EGCG-valine derivative 4 by replacing the gallic acid with a valine moiety in four steps. The structural elucidation of derivative 4 was performed using NMR, IR, mass, and UV spectroscopies. Additionally, the physicochemical properties of 4 were predicted by SwissADME, showing improved drug-like parameters and intestinal absorption compared to the parent compound EGCG.
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(This article belongs to the Section Organic Synthesis)
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Open AccessShort Note
Methyl 6-Benzyl-3-Hydroxy-3,6-Dimethyl-1,2-Dioxane-4-Carboxylate
by
Alexandre Benech, Omar Khoumeri, Christophe Curti and Patrice Vanelle
Molbank 2024, 2024(2), M1825; https://doi.org/10.3390/M1825 - 23 May 2024
Abstract
Plasmodium falciparum is a fast-evolving parasite responsible for the fatal disease malaria, making it crucial to renew our therapeutic arsenal. Modulating the artemisinin’s endoperoxide pharmacophore is a promising route to synthesizing new antimalarial derivatives. For the first step of our 20 mmol scale
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Plasmodium falciparum is a fast-evolving parasite responsible for the fatal disease malaria, making it crucial to renew our therapeutic arsenal. Modulating the artemisinin’s endoperoxide pharmacophore is a promising route to synthesizing new antimalarial derivatives. For the first step of our 20 mmol scale synthesis, catalyzed by manganese (III) acetylacetonate, we applied the conditions previously described in the literature to one of our low-yielding asymmetrically disubstituted alkenes, (2-methylallyl)benzene. Under conditions designed for alkyl derivatives, manganese (II) and (III) acetate catalyzed its peroxycyclization with methyl 3-oxobutanoate to a 1,2-dioxane ring in the presence of oxygen from air at room temperature with a 36% yield, while an oxygen atmosphere, as described in the literature, decreased the yield to 7%. Finally, under conditions designed for aryl derivatives, the yield was reduced to 30%, showing that methylallyl derivatives have an intermediate reactivity that needs further optimization to produce 1,2-dioxane ring by manganese catalyzation in good yields. This work characterizes the product obtained and discusses the most suitable reaction conditions.
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(This article belongs to the Collection Molecules from Catalytic Processes)
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Open AccessCommunication
(Hetero)Arene Ring-Fused [1,2,4]Triazines
by
Mahshid Teymouri, Anna Pietrzak and Paulina Bartos
Molbank 2024, 2024(2), M1824; https://doi.org/10.3390/M1824 - 20 May 2024
Abstract
Synthetic access to a five (hetero)arene ring-fused 3-phenyl[1,2,4]triazines is described. The resulting compounds were characterized via 1H and 13C NMR, IR, UV–vis spectroscopy and HRMS. The structure of 3-phenyl[1,2,4]triazino[5,6-c]quinoline was unambiguously confirmed by single crystal XRD.
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(This article belongs to the Section Organic Synthesis)
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