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 (2022)
Latest Articles
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
Molbank 2024, 2024(2), M1826; https://doi.org/10.3390/M1826 (registering DOI) - 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
[...] Read more.
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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Open AccessCommunication
4-(Tris(4-methyl-1H-pyrazol-1-yl)methyl)aniline
by
Bradley B. Garrison, Joseph E. Duhamel, Nehemiah Antoine, Steven J. K. Symes, Kyle A. Grice, Colin D. McMillen and Jared A. Pienkos
Molbank 2024, 2024(2), M1823; https://doi.org/10.3390/M1823 - 17 May 2024
Abstract
4-(tris(4-methyl-1H-pyrazol-1-yl)methyl)aniline was prepared in a 63% yield utilizing a C–F activation strategy from a mixture of 4-(trifluoromethyl)aniline, 4-methylpyrazole, and KOH in dimethylsulfoxide (DMSO). The identity of the product was confirmed by nuclear magnetic resonance spectroscopy, infrared spectroscopy, mass spectrometry, and single-crystal
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4-(tris(4-methyl-1H-pyrazol-1-yl)methyl)aniline was prepared in a 63% yield utilizing a C–F activation strategy from a mixture of 4-(trifluoromethyl)aniline, 4-methylpyrazole, and KOH in dimethylsulfoxide (DMSO). The identity of the product was confirmed by nuclear magnetic resonance spectroscopy, infrared spectroscopy, mass spectrometry, and single-crystal analysis. An analysis of crystals grown from the layering method (CH2Cl2/acetone/pentane) indicated two distinct polymorphs of the title compound. Moreover, density functional theory calculations utilizing the MN15L density functional and the def2-TZVP basis set indicated that 4-(tris(4-methyl-1H-pyrazol-1-yl)methyl)aniline forms with similar energetics to the previously reported unmethylated analog.
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(This article belongs to the Section Organic Synthesis)
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11-Hydroxy-7-Methoxy-2,8-Dimethyltetracene-5,12-Dione
by
Rishi Vachaspathy Astakala, Gagan Preet, Ahlam Haj Hasan, Ria Desai, Juan A. Asenjo, Barbara Andrews, William T. A. Harrison, Rainer Ebel and Marcel Jaspars
Molbank 2024, 2024(2), M1822; https://doi.org/10.3390/M1822 - 14 May 2024
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Microorganisms are a valuable source of pharmaceutically active chemicals, serving as scaffolds for synthesis as well as lead structures. Investigating novel biomes frequently yields intriguing chemistry; the Atacama Desert in Chile is one such example. This study reports the isolation of a new
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Microorganisms are a valuable source of pharmaceutically active chemicals, serving as scaffolds for synthesis as well as lead structures. Investigating novel biomes frequently yields intriguing chemistry; the Atacama Desert in Chile is one such example. This study reports the isolation of a new reduced anthracycline-related compound from the Atacama Desert-derived bacterium Saccharothrix S26. Structural characterisation was achieved by one-dimensional and two-dimensional NMR, HR-LCMS, and X-ray crystallography. The compound was tested against the ESKAPE pathogens, bovine mastitis-related pathogens, and the fungal strain Cryptococcus neoformans, but no antimicrobial activity was observed.
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Supplementary material:
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Supplementary File 1 (PDF, 484 KiB)
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Supplementary File 12 (INCHI, 3 KiB)
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Supplementary File 15 (INCHI, 3 KiB)
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Supplementary File 17 (CIF, 972 KiB)
Supplementary File 18 (ZIP, 104 KiB)
Open AccessCommunication
Adamantylated Calix[4]arenes Bearing CuAAC-Ready 2-Azidoethyl or Propargyl Functionalities
by
Alexander Gorbunov, Maria Malakhova, Stanislav Bezzubov, Ivan Lentin, Vladimir Kovalev and Ivan Vatsouro
Molbank 2024, 2024(2), M1821; https://doi.org/10.3390/M1821 - 11 May 2024
Abstract
1,3-Alternate calix[4]arenes were prepared, having bulky adamantyl groups in the p-positions of all four aromatic units of the macrocycles and pairs of propargyl or 2-azidoethyl groups alternating with n-propyl groups at the phenol oxygen atoms. The step-wise syntheses were carried out
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1,3-Alternate calix[4]arenes were prepared, having bulky adamantyl groups in the p-positions of all four aromatic units of the macrocycles and pairs of propargyl or 2-azidoethyl groups alternating with n-propyl groups at the phenol oxygen atoms. The step-wise syntheses were carried out through a selective distal alkylation of the parent p-adamantylcalix[4]arene with propargyl bromide or 1,2-dibromoethane, resulting in calix[4]arenes bearing pairs of propargyl or 2-bromoethyl groups at their narrow rims. The bromine atoms were replaced by azide groups, and then both calix[4]arene diethers were exhaustively alkylated at the remaining OH-groups with 1-iodopropane under stereoselective conditions to fix the macrocycles in an 1,3-alternate shape. The structures of the prepared p-adamantylcalix[4]arenes were confirmed by NMR and HRMS data, and, for the 1,3-alternate dipropargyl ether, the X-ray diffraction data were also collected. Preliminary data on the reactivity of the prepared calixarenes under the CuAAC conditions suggested a strong steric hampering created by the adamantane units nearby the reacting alkyne or azide groups that affected the outcome of the two-fold cycloaddition involving the calixarene bis(azides) or bis(alkynes) as complementary partners.
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(This article belongs to the Section Organic Synthesis)
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8(S)-[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyloxy]-3,4-dihydro-2H-[1,4]dithiepino[2,3-c]furan-6(8H)-one
by
Alsu M. Khabibrakhmanova, Enze S. Rabbanieva, Darya P. Gerasimova, Liliya Z. Latypova and Almira R. Kurbangalieva
Molbank 2024, 2024(2), M1820; https://doi.org/10.3390/M1820 - 11 May 2024
Abstract
The interaction of propane-1,3-dithiol with the chiral bis-thioether, which combines two 2(5H)-furanone moieties, bridged through their carbon atoms C(4) by the propane-1,3-dithiol fragment, in DMF in the presence of potassium hydroxide or cesium carbonate resulted in the formation of an
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The interaction of propane-1,3-dithiol with the chiral bis-thioether, which combines two 2(5H)-furanone moieties, bridged through their carbon atoms C(4) by the propane-1,3-dithiol fragment, in DMF in the presence of potassium hydroxide or cesium carbonate resulted in the formation of an optically active fused bicyclic sulfur heterocycle, possessing 1,4-dithiepine and unsaturated γ-lactone moieties. The studied reaction follows an unexpected pathway in a basic medium with the thiolate–thiolate exchange. The structure of the novel heterocycle of the 1,4-dithiepinofuranone series is characterized by single-crystal X-ray diffraction.
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(This article belongs to the Collection Heterocycle Reactions)
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Open AccessCommunication
Synthesis and Structure of a Coordination Polymer of Ni(II) with 2-(4-Bromophenoxy)acetohydrazide
by
Оlena Martsynko, Mariia Nesterkina, Оlena Finik, Kyrylo Tsymbaliuk, Viktoriya Dyakonenko, Svitlana Shishkina and Iryna Kravchenko
Molbank 2024, 2024(2), M1819; https://doi.org/10.3390/M1819 - 8 May 2024
Abstract
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The coordination compound [NiCl2L(2-PrOH)]n (where L is 2-(4-bromophenoxy)acetohydrazide; 2-PrOH is isopropanol) was obtained for the first time. The complex was characterized by means of elemental analyses, molar conductance, thermogravimetric analysis, IR spectroscopy, and single crystal X-ray diffraction analysis. It was
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The coordination compound [NiCl2L(2-PrOH)]n (where L is 2-(4-bromophenoxy)acetohydrazide; 2-PrOH is isopropanol) was obtained for the first time. The complex was characterized by means of elemental analyses, molar conductance, thermogravimetric analysis, IR spectroscopy, and single crystal X-ray diffraction analysis. It was determined that the coordination compound exhibits a polymeric structure. The complexing agent is six-coordinated, and its distorted octahedron forms due to the bidentate coordination of 2-(4-bromophenoxy)acetohydrazide through the carbonyl oxygen atom and the amine nitrogen. The oxygen of the molecule of isopropanol, the chlorine atom, and two chlorine atoms serve as bridges between two metal atoms.
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Open AccessShort Note
(E)-1-(5-(Hydroxymethyl) furan-2-yl)-4,4-dimethylpent-1-en-3-one
by
Zhongwei Wang, Luxiao Zhou, Peng He and Yukun Qin
Molbank 2024, 2024(2), M1818; https://doi.org/10.3390/M1818 - 7 May 2024
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This study presents a novel approach in the realm of catalytic organic synthesis by integrating biomass catalytic conversion with organic synthesis techniques. Utilizing N-acetylglucosamine as the primary feedstock, the first phase of the research involves its catalytic transformation into 5-hydroxymethylfurfural (HMF). The
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This study presents a novel approach in the realm of catalytic organic synthesis by integrating biomass catalytic conversion with organic synthesis techniques. Utilizing N-acetylglucosamine as the primary feedstock, the first phase of the research involves its catalytic transformation into 5-hydroxymethylfurfural (HMF). The subsequent phase employs a condensation reaction between HMF and 3,3-Dimethyl-2-butanone to synthesize a new compound, (E)-1-(5-(hydroxymethyl) furan-2-yl)-4,4-dimethylpent-1-en-3-one. This two-step process not only demonstrates the feasibility of converting biomass into valuable chemical precursors but also exemplifies the synthesis of novel compounds through green chemistry principles. The successful execution of this methodology offers fresh insights and opens new avenues for advancements in catalytic organic synthesis, emphasizing sustainability and efficiency.
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Open AccessShort Note
4,4’-(Thiophene-2,5-diylbis(ethyne-2,1-diyl))bis(1-methyl-1-pyridinium) Iodide
by
Lorenza Romagnoli, Alessandro Latini and Andrea D’Annibale
Molbank 2024, 2024(2), M1817; https://doi.org/10.3390/M1817 - 6 May 2024
Abstract
In the vast field of organic functional materials, viologens are widely recognized as an extremely versatile family of substances, due in part to the possibility of extending conjugation between the terminal pyridinium rings, for instance through the insertion of additional aromatic moieties. In
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In the vast field of organic functional materials, viologens are widely recognized as an extremely versatile family of substances, due in part to the possibility of extending conjugation between the terminal pyridinium rings, for instance through the insertion of additional aromatic moieties. In this work, a new, extended viologen with a thiophene core and two acetylene bonds is presented. It was synthesized through a straightforward route, using well-established Sonogashira coupling reactions, and its optical properties were investigated by UV–visible absorption and fluorescence spectroscopy, revealing a very interesting material for diverse fluorescence-related applications.
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(This article belongs to the Section Organic Synthesis)
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Di-µ-(1-(3-(1H-imidazol-1-yl)propyl)-2-methyl-4-oxo-1,4-dihydropyridin-3-olate)-bis[(η5-pentamethylcyclopentadienyl)iridium(III)] Chloride
by
Ilya A. Shutkov, Nikolai A. Melnichuk, Konstantin A. Lyssenko, Nataliya E. Borisova, Olga N. Kovaleva and Alexey A. Nazarov
Molbank 2024, 2024(2), M1816; https://doi.org/10.3390/M1816 - 5 May 2024
Abstract
A metallacyclic maltol-tethered organometallic Ir(III) half-sandwich complex was synthesized as an analog of the ruthenium anticancer complexes (RAPTA/RAED) to evaluate its in vitro antiproliferative activity against various human cancer cell lines.
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(This article belongs to the Section Organic Synthesis)
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2S-(1RS-benzyloxy-hex-5-enyl)-2,3-dihydro-1,4-benzodioxine
by
Angelica Artasensi and Laura Fumagalli
Molbank 2024, 2024(2), M1812; https://doi.org/10.3390/M1812 - 24 Apr 2024
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In medicinal chemistry, the precise configuration of molecules is a crucial determinant of their pharmacological properties. Hence, the introduction of a new chiral center during the synthetic pathway involves the assignment of configuration. Herein we assign, by means of molecular modeling 1H
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In medicinal chemistry, the precise configuration of molecules is a crucial determinant of their pharmacological properties. Hence, the introduction of a new chiral center during the synthetic pathway involves the assignment of configuration. Herein we assign, by means of molecular modeling 1H and 2D Nuclear Overhauser Effect NMR techniques, the configuration of the two diastereomers 2S-(1R-benzyloxy-hex-5-enyl)-2,3-dihydro-1,4-benzodioxine and 2S-(1S-benzyloxy-hex-5-enyl)-2,3-dihydro-1,4-benzodioxine, which are useful to synthetize analogs of the potent and highly selective dipeptidyl peptidase IV and carbonic anhydrase inhibitor recently published.
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Open AccessShort Note
5,5′-Thiobis(3-bromoisothiazole-4-carbonitrile)
by
Andreas S. Kalogirou and Panayiotis A. Koutentis
Molbank 2024, 2024(2), M1813; https://doi.org/10.3390/M1813 - 24 Apr 2024
Abstract
The reaction of sodium 2,2-dicyanoethene-1,1-bis(thiolate) with bromine (2 equiv.) in CCl4 gave 3,5-dibromoisothiazole-3-carbonitrile and 5,5′-thiobis(3-bromoisothiazole-4-carbonitrile) in 7% and 18% yields, respectively. The latter novel compound was fully characterized.
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(This article belongs to the Section Organic Synthesis)
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Supplementary material:
Supplementary File 1 (ZIP, 660 KiB)
Supplementary File 2 (MOL, 8 KiB)
Supplementary File 3 (INCHI, 3 KiB)
Supplementary File 4 (MOL, 8 KiB)
Supplementary File 5 (MOL, 8 KiB)
Supplementary File 6 (INCHI, 2 KiB)
Supplementary File 7 (MOL, 8 KiB)
Supplementary File 8 (CIF, 2480 KiB)
Supplementary File 1 (ZIP, 660 KiB)
Supplementary File 2 (MOL, 8 KiB)
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Open AccessShort Note
5,6-Diphenyl-1,3,4,7-tetra-p-tolyl-1,3,3a,7a-tetrahydropentaleno[1,2-c]furan
by
Shu-Kai Chen, Yi-Hung Liu and Shiuh-Tzung Liu
Molbank 2024, 2024(2), M1814; https://doi.org/10.3390/M1814 - 24 Apr 2024
Abstract
The reaction of (Z)-5-phenyl-1,3-di-p-tolylpent-2-en-4-yn-1-ol (1) with trimethylsilyl chloride in dichloromethane at ambient temperature gave a dimeric ether compound 2 in 30% yield. Subsequently, heating 2 in toluene under refluxing temperature rendered the title compound quantitatively. The structure
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The reaction of (Z)-5-phenyl-1,3-di-p-tolylpent-2-en-4-yn-1-ol (1) with trimethylsilyl chloride in dichloromethane at ambient temperature gave a dimeric ether compound 2 in 30% yield. Subsequently, heating 2 in toluene under refluxing temperature rendered the title compound quantitatively. The structure of this tricyclic-fused compound was characterized using NMR, mass spectroscopy, and X-ray crystallography. This unique linear tricyclic fused furan framework is reported for the first time.
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(This article belongs to the Section Organic Synthesis)
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Supplementary material:
Supplementary File 1 (PDF, 870 KiB)
Supplementary File 2 (MOL, 2 KiB)
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Supplementary File 1 (PDF, 870 KiB)
Supplementary File 2 (MOL, 2 KiB)
Supplementary File 3 (INCHI, 513 B)
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Open AccessCommunication
Synthesis and Spectroscopic Study of New 1H-1-Alkyl-6-methyl-7-nitroso-3-phenylpyrazolo[5,1-c][1,2,4]triazoles
by
Ion Burcă, Valentin Badea, Vasile-Nicolae Bercean and Francisc Péter
Molbank 2024, 2024(2), M1815; https://doi.org/10.3390/M1815 - 24 Apr 2024
Abstract
The nitrosation of 1H-1-alkyl-6-methyl-3-phenylpyrazolo[5,1-c][1,2,4]triazoles leads to new 1H-1-alkyl-6-methyl-7-nitroso-3-phenylpyrazolo[5,1-c][1,2,4] triazoles that react in acidic media, giving rise to 1H-1-alkyl-7-hydroxyimino-6-methyl-3-phenylpyrazolo[5,1-c][1,2,4]triazolium salts. These compounds were characterized by FT-IR, UV-Vis, 1H-NMR, 13C-NMR, and 15N-NMR spectroscopic techniques.
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(This article belongs to the Collection Heterocycle Reactions)
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Open AccessShort Note
Chloro(η2,η2-cycloocta-1,5-diene){1-[(2-[(S)-1-(hydroxymethyl)-3-methylbutyl]amino)-2-oxoethyl]-3-(1-naphthalenylmethyl)benzimidazol-2-ylidene}rhodium(I)
by
Satoshi Sakaguchi and Shogo Matsuo
Molbank 2024, 2024(2), M1810; https://doi.org/10.3390/M1810 - 19 Apr 2024
Abstract
Commercially available and air- and moisture-stable rhodium complex [Rh(OH)(cod)]2 (2) was utilized in the synthesis of [RhX(cod)(NHC)] (3). The presence of an OH group in complex 2 serves as an internal base, facilitating the deprotonation of the C–H
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Commercially available and air- and moisture-stable rhodium complex [Rh(OH)(cod)]2 (2) was utilized in the synthesis of [RhX(cod)(NHC)] (3). The presence of an OH group in complex 2 serves as an internal base, facilitating the deprotonation of the C–H bond of the azolium ring in the hydroxyamide-substituted benzimidazolium salt 1. This reaction between 1 and 2 proceeded in THF at room temperature without temperature control, affording the desired NHC/Rh complex 3 in excellent yield. The characterization of complex 3 was accomplished through NMR and HRMS analyses, revealing its existence as a diastereomeric mixture of two NHC/Rh complexes. Furthermore, its catalytic performance was briefly evaluated in the reaction between 2-naphthaldehyde (5) and phenylboronic acid (6).
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(This article belongs to the Topic Heterocyclic Carbene Catalysis)
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Scheme 1
Open AccessShort Note
Chloro(η2,η2-cycloocta-1,5-diene){1-benzyl-3-[(S)-2-hydroxy-1-methylethyl]benzimidazol-2-ylidene}rhodium(I)
by
Satoshi Sakaguchi and Shogo Matsuo
Molbank 2024, 2024(2), M1811; https://doi.org/10.3390/M1811 - 19 Apr 2024
Abstract
Previously, we demonstrated the synthesis of a well-defined hydroxyalkyl-functionalized N-heterocyclic carbene (NHC)/Ru(II) complex through the transmetalation reaction between [RuCl2(p-cymene)]2 and the corresponding NHC/Ag(I) complex derived from a chiral benzimidazolium salt using the Ag2O method. In
[...] Read more.
Previously, we demonstrated the synthesis of a well-defined hydroxyalkyl-functionalized N-heterocyclic carbene (NHC)/Ru(II) complex through the transmetalation reaction between [RuCl2(p-cymene)]2 and the corresponding NHC/Ag(I) complex derived from a chiral benzimidazolium salt using the Ag2O method. In this study, we successfully synthesized [RhX(cod)(NHC)] complexes through a one-pot deprotonation route. The hydroxyalkyl-substituted benzimidazolium salt reacted with [Rh(OH)(cod)]2 in THF at room temperature, affording the corresponding monodentate NHC/Rh(I) complex in nearly quantitative yield. The rhodium complex was characterized using NMR, HRMS measurement, and elemental analysis.
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(This article belongs to the Topic Heterocyclic Carbene Catalysis)
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Open AccessShort Note
Diiodido-bis{N-[2-(diphenylphosphino)benzylidene]benzylamine-κ2N,P}dicopper(I)
by
Julian Süß, Uwe Monkowius and Manfred Zabel
Molbank 2024, 2024(2), M1808; https://doi.org/10.3390/M1808 - 18 Apr 2024
Abstract
The one-pot template reaction between 2-(diphenylphosphino)benzaldehyde, benzylamine and copper(I) iodide yields the dinuclear copper complex (P∩N)2Cu2I2, as revealed by single-crystal X-ray diffraction.
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(This article belongs to the Section Structure Determination)
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1-(3-Chlorophenyl)-3-(6-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)amino)hexyl)thiourea
by
Daria Zapravdina and Vladimir Burmistrov
Molbank 2024, 2024(2), M1809; https://doi.org/10.3390/M1809 - 18 Apr 2024
Abstract
The compound 1-(3-chlorophenyl)-3-(6-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)amino)hexyl)thiourea was synthesized for the first time from 6-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)amino)hexan-1-amine and 3-chlorophenylisothiocyanate in DMF with a 60% yield. It was characterized by 1H, 13C{1H} NMR, FT-IR, MS, and elemental analysis.
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(This article belongs to the Section Organic Synthesis)
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3,3’-(4,11-Bis(4-(trifluoromethyl)benzyl)-1,4,8,11-Tetraazacyclotetradecane-1,8-diyl)dipropanenitrile
by
Inês M. Nunes, Elisabete R. Silva and Luis G. Alves
Molbank 2024, 2024(2), M1807; https://doi.org/10.3390/M1807 - 17 Apr 2024
Abstract
The cyclam derivative (NCCH2CH2)2(4-CF3PhCH2)2Cyclam was prepared by the reaction of H2(4-CF3PhCH2)2Cyclam with acrylonitrile in methanol. The compound was fully characterized by elemental analysis,
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The cyclam derivative (NCCH2CH2)2(4-CF3PhCH2)2Cyclam was prepared by the reaction of H2(4-CF3PhCH2)2Cyclam with acrylonitrile in methanol. The compound was fully characterized by elemental analysis, mass spectrometry as well as IR and NMR spectroscopy. Crystals of (NCCH2CH2)2(4-CF3PhCH2)2Cyclam suitable for single-crystal X-ray diffraction were obtained by the slow evaporation of a chloroform solution of the compound. The establishment of non-classical hydrogen bonds and unusual nitrile–nitrile and π(CN)…π interactions determined the solid-state supramolecular architecture of (NCCH2CH2)2(4-CF3PhCH2)2Cyclam.
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(This article belongs to the Section Structure Determination)
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