Molbank

9 pages, 1271 KB

Open AccessCommunication

Missing Crystal Structure and DFT Study of Calcium Complex Based on 4-(3-Hydroxy-2-methyl-4-oxopyridin-1(4H)-yl) Acetic Acid

by Roman V. Rumyantcev, Marina A. Katkova, Galina S. Zabrodina, Georgy K. Fukin and Sergey Yu. Ketkov

Molbank 2025, 2025(4), M2080; https://doi.org/10.3390/M2080 (registering DOI) - 24 Oct 2025

Abstract

Recently, 3-hydroxy-4-pyridinones have been extensively studied as chelating bidentate agents of metal ions for various biomedical applications. This study reports the structural characterization and density functional theory (DFT) analysis of centrosymmetric calcium complex based on 4-(3-hydroxy-2-methyl-4-oxopyridin-1(4H)-yl) acetic acid (1). [...] Read more.

Recently, 3-hydroxy-4-pyridinones have been extensively studied as chelating bidentate agents of metal ions for various biomedical applications. This study reports the structural characterization and density functional theory (DFT) analysis of centrosymmetric calcium complex based on 4-(3-hydroxy-2-methyl-4-oxopyridin-1(4H)-yl) acetic acid (1). The structure of complex 1 was determined by X-ray crystallography. The 3-hydroxy-4-pyridinone ligand in the studied complex is bound to the calcium ion in the desired monodentate, non-bridging manner. The calcium ion has a coordination number of six and adopts a distorted octahedral geometry. Analyzed geometric characteristics corresponding to hydrogen bonds in the crystal. The theoretical study of intra- and intermolecular interactions utilized DFT with the PBE0-D3/def2-TZVP (Gaussian Inc., Wallingford, CT, USA) level of theory. The charge redistribution in the ligand was studied in comparison with the free acid molecule. Full article

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8 pages, 1323 KB

Open AccessShort Note

N-(2-Fluoro-2-propen-1-yl)-5-(trifluoromethyl)-2-pyridinecarboxamide

by Taylor Semeniuk and Jean-Denys Hamel

Molbank 2025, 2025(4), M2078; https://doi.org/10.3390/M2078 - 21 Oct 2025

Abstract

Herein, the synthesis and crystallization of the unreported compound N-(2-fluoro-2-propen-1-yl)-5-(trifluoromethyl)-2-pyridinecarboxamide is achieved via amide coupling with a (2-fluoroallyl)ammonium salt. The structural properties are analyzed via single-crystal X-ray crystallography. Hydrogen bonding interactions between the amide groups and pyridine nitrogen atoms create a unique [...] Read more.

Herein, the synthesis and crystallization of the unreported compound N-(2-fluoro-2-propen-1-yl)-5-(trifluoromethyl)-2-pyridinecarboxamide is achieved via amide coupling with a (2-fluoroallyl)ammonium salt. The structural properties are analyzed via single-crystal X-ray crystallography. Hydrogen bonding interactions between the amide groups and pyridine nitrogen atoms create a unique linear array of molecules in the crystal packing diagram. Furthermore, to validate the crystallographic data, the structural features of the compound are evaluated and compared to values reported in the literature. Full article

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7 pages, 1031 KB

Open AccessShort Note

2-Benzyl-6-carboxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-1-ium 2,2,2-trifluoroacetate

by Francesco Bavo, Christos Avgerinos, Elena Martino and Bente Frølund

Molbank 2025, 2025(4), M2077; https://doi.org/10.3390/M2077 - 20 Oct 2025

Abstract

Cyclic guanidines are valuable scaffolds for the design of compounds acting on GABAergic neurotransmission, owing to their ability to mimic the amino functionality of GABA as bioisosteres. With the aim to obtain a more potent and selective betaine/GABA transporter (BGT1) inhibitor, a basic [...] Read more.

Cyclic guanidines are valuable scaffolds for the design of compounds acting on GABAergic neurotransmission, owing to their ability to mimic the amino functionality of GABA as bioisosteres. With the aim to obtain a more potent and selective betaine/GABA transporter (BGT1) inhibitor, a basic hydrolysis of ethyl (E)-2-(acetylimino)-1-(3-phenylprop-2-yn-1-yl)hexahydropyrimidine-5-carboxylate was attempted. However, we isolated a byproduct, which was identified as the trifluoroacetate salt of 2-benzyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylic acid. The structure was confirmed by NMR spectroscopy and LC-MS. Herein we report the preparation, characterization, and spectral data of this fused heterocyclic compound. Full article

(This article belongs to the Collection Molecules from Side Reactions)

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9 pages, 1163 KB

Open AccessShort Note

3-((Benzyloxy)carbonyl)bicyclo[1.1.1]pentane-1-carboxylic Acid

by Dennis D. Toporkov, Stacie K. Nelson, Jean-Denys Hamel and René T. Boeré

Molbank 2025, 2025(4), M2075; https://doi.org/10.3390/M2075 - 16 Oct 2025

Abstract

The compound 3-((benzyloxy)carbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid was successfully synthesized. High-quality crystals were obtained, and its X-ray structure was solved and refined by Hirshfeld atom refinement using custom aspherical scattering factors with the Olex2/NoSphereA2 package. Hydrogen bonding interactions lead to head-to-head carboxylic acid dimer formation. A [...] Read more.

The compound 3-((benzyloxy)carbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid was successfully synthesized. High-quality crystals were obtained, and its X-ray structure was solved and refined by Hirshfeld atom refinement using custom aspherical scattering factors with the Olex2/NoSphereA2 package. Hydrogen bonding interactions lead to head-to-head carboxylic acid dimer formation. A positional disorder for the bridging H-atom was detected and modeled to two parts in a 0.85:0.15 ratio. Detailed comparison with a neutron diffraction study of benzoic acid at the same temperature (100 K) demonstrates that the E–H-bond distances in the title compound are in excellent agreement (differing less than 1%) and the displacement ellipsoids volumes to the model are also in excellent agreement to the neutron diffraction structure. Moreover, both the variation in refined disorder occupancy and differences in C=O and C–O lengths of the disordered carboxylic acids in the two structures track well with their dimer O···O separations. This is longer by 0.023 Å in the structure of the title compound than in that of benzoic acid. A database search was conducted and used for comparison of the title compound to other high-quality structures of bicyclo[1.1.1]pentane-containing species. Full article

(This article belongs to the Section Structure Determination)

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5 pages, 309 KB

Open AccessShort Note

1,1-Bis(4-ethylphenyl)-propan-1,2-diol

by Ichika Hayashida, Malokhat Uktamova, Sarvinoz Tirkasheva and Kohei Torikai

Molbank 2025, 2025(4), M2076; https://doi.org/10.3390/M2076 - 16 Oct 2025

Abstract

Diols represent a structurally diverse class of compounds with considerable biological and functional significance. Herein, we describe the synthesis of 1,1-bis(4-ethylphenyl)propan-1,2-diol (BEPP) via a Grignard reaction. The structure of BEPP was unambiguously elucidated by ¹H and ¹³C nuclear magnetic resonance (NMR), [...] Read more.

Diols represent a structurally diverse class of compounds with considerable biological and functional significance. Herein, we describe the synthesis of 1,1-bis(4-ethylphenyl)propan-1,2-diol (BEPP) via a Grignard reaction. The structure of BEPP was unambiguously elucidated by ¹H and ¹³C nuclear magnetic resonance (NMR), heteronuclear multiple-bond correlation (HMBC), high-resolution mass spectrometry (HRMS), and infrared (IR) spectroscopy. Full article

(This article belongs to the Section Organic Synthesis and Biosynthesis)

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Graphical abstract

11 pages, 516 KB

Open AccessCommunication

Efficient Synthesis of Unsymmetrical 7,7′-Biindolizines

by Roxana Ciorteanu, Andreea Danila, Catalina Ionica Ciobanu, Ioana Radu, Ionel I. Mangalagiu and Ramona Danac

Molbank 2025, 2025(4), M2074; https://doi.org/10.3390/M2074 - 15 Oct 2025

Abstract

Six new unsymmetrical 7,7′-biindolizines were synthesized through an efficient metal-free [2+2+1] cycloaddition of ethyl 3-benzoyl-7-(pyridin-4-yl)indolizine-1-carboxylate with two equivalents of dimethyl acetylenedicarboxylate in methanol. The transformation involves one C≡C triple bond cleavage and provides access to previously unexplored unsymmetrical functionalized 7,7′-biindolizines. Full article

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Scheme 1

5 pages, 377 KB

Open AccessShort Note

(5R*,6R*) 11-Benzoyl-4,10-dimethyl-2,8-diphenyl-2,3,8,9-tetraazadispiro [4.0.4⁶.1⁵]undeca-3,9-diene-1,7-dione

by Michail N. Elinson, Varvara M. Kalashnikova, Yuliya E. Ryzhkova and Oleg A. Rakitin

Molbank 2025, 2025(4), M2073; https://doi.org/10.3390/M2073 - 15 Oct 2025

Abstract

Cyclopropanes are important in drug discovery because their unique structure, including inherent three-dimensionality, can enhance a drug’s properties, such as metabolic stability, target binding, and membrane permeability. In this communication, (5R*,6R*) 11-benzoyl-4,10-dimethyl-2,8-diphenyl-2,3,8,9-tetraazadispiro[4.0.4⁶.1⁵]undeca-3,9-diene-1,7-dione was prepared via [...] Read more.

Cyclopropanes are important in drug discovery because their unique structure, including inherent three-dimensionality, can enhance a drug’s properties, such as metabolic stability, target binding, and membrane permeability. In this communication, (5R*,6R*) 11-benzoyl-4,10-dimethyl-2,8-diphenyl-2,3,8,9-tetraazadispiro[4.0.4⁶.1⁵]undeca-3,9-diene-1,7-dione was prepared via a stereoselective one-pot reaction of phenylglyoxal hydrate with two equivalents of 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one in EtOH in the presence of sodium acetate and N-bromosuccinimide. The structure of the newly synthesized compound was established by ¹H and ¹³C NMR, IR spectroscopy, high-resolution mass spectrometry, and elemental analysis. Full article

(This article belongs to the Section Organic Synthesis and Biosynthesis)

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Graphical abstract

10 pages, 945 KB

Open AccessCommunication

Development of New Amide Derivatives of Betulinic Acid: Synthetic Approaches and Structural Characterization

by Qinwei Xu, Yuhan Xie, Jin Qi, Zimo Ren, Carmine Coluccini and Paolo Coghi

Molbank 2025, 2025(4), M2072; https://doi.org/10.3390/M2072 - 13 Oct 2025

Abstract

In this study, we report the synthesis of three new derivatives of betulinic acid, a pentacyclic triterpenoid known for its antitumor activity. These derivatives were synthesized via amide bond formation at the C-28 position using 3-[(Ethylimino)methylidene]amino-N,N-dimethylpropan-1-amine (EDC)/Hydroxybenzotriazole (HOBt) activation [...] Read more.

In this study, we report the synthesis of three new derivatives of betulinic acid, a pentacyclic triterpenoid known for its antitumor activity. These derivatives were synthesized via amide bond formation at the C-28 position using 3-[(Ethylimino)methylidene]amino-N,N-dimethylpropan-1-amine (EDC)/Hydroxybenzotriazole (HOBt) activation and various amines as nucleophiles. The synthesized compounds were characterized by nuclear magnetic resonance (NMR) techniques, including proton (¹H), carbon-13 (¹³C), COSY, HSQC, and DEPT, as well as ultraviolet–visible (UV-VIS) spectroscopy, Fourier-transform infrared (IR) and elemental analysis. This work highlights the potential of semi-synthetic modification of betulinic acid to enhance anticancer properties while addressing challenges in solubility and bioavailability. Further structural optimization and formulation studies are warranted to improve drug-like properties and therapeutic applicability. Full article

(This article belongs to the Section Organic Synthesis and Biosynthesis)

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5 pages, 262 KB

Open AccessShort Note

2,2,3,3-Tetrafluoropropyl 4-azido-2,3,5,6-Tetrafluorobenzoate

by Sofia S. Kascheeva, Anastasiya V. Lastovka, Andrey S. Vinogradov, Tatyana V. Mezhenkova and Dmitriy A. Parkhomenko

Molbank 2025, 2025(4), M2070; https://doi.org/10.3390/M2070 - 10 Oct 2025

Abstract

Organic azides are traditionally used in organic synthesis to obtain a wide variety of chemical compounds. This prompted us to report the synthesis of a new polyfluorinated aryl azide, 2,2,3,3-tetrafluoropropyl 4-azido-2,3,5,6-tetrafluorobenzoate, which was obtained in two stages starting from pentafluorobenzoic acid. Full article

(This article belongs to the Section Organic Synthesis and Biosynthesis)

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Scheme 1

9 pages, 1000 KB

Open AccessCommunication

Crystal Structure of 3-(Anthracen-2′-yl)-ortho-carborane

by Kyrill Yu. Suponitsky, Akim V. Shmal’ko, Sergey A. Anufriev and Igor B. Sivaev

Molbank 2025, 2025(4), M2071; https://doi.org/10.3390/M2071 - 10 Oct 2025

Abstract

Crystal molecular structure of 3-(anthracen-2′-yl)-ortho-carborane was determined by single crystal X-ray diffraction study at 100 K. The asymmetric cell unit contains two enantiomeric pairs of molecules, in one of which the intramolecular dihydrogen bond CH...HB is formed with the participation of [...] Read more.

Crystal molecular structure of 3-(anthracen-2′-yl)-ortho-carborane was determined by single crystal X-ray diffraction study at 100 K. The asymmetric cell unit contains two enantiomeric pairs of molecules, in one of which the intramolecular dihydrogen bond CH...HB is formed with the participation of the C(1)H hydrogen of the anthracene substituent, and in the other with the participation of the C(3)H hydrogen. In all molecules, the polycyclic aromatic and carborane fragments are rotated relative to each other in such a way that the C-C bond of the ortho-carborane cage is approximately parallel to the plane of the aromatic substituent. According to quantum chemical calculations, the minimum energy corresponds to the formation of an intramolecular dihydrogen bond C(1)H...HB(4/7), whereas the C(3)H...HB(4/7) bond is formed rather as a result of intermolecular interactions in the crystal lattice. Full article

(This article belongs to the Section Structure Determination)

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7 pages, 1156 KB

Open AccessCommunication

Gas Phase Fragmentation of N,N-Ditosyl-2-aminodiphenylamine to Phenazine

by M. John Plater and William T. A. Harrison

Molbank 2025, 2025(4), M2069; https://doi.org/10.3390/M2069 - 6 Oct 2025

Abstract

N,N-Ditosyl-2-aminodiphenylamine was prepared by the tosylation of 2-aminodiphenylamine with tosylchloride in dichloromethane. Unwanted isomers owing to the tosylation of the diarylamine were not formed. This compound was fully characterized by IR, UV/Vis, NMR, m/z, and mp, including an X-Ray [...] Read more.

N,N-Ditosyl-2-aminodiphenylamine was prepared by the tosylation of 2-aminodiphenylamine with tosylchloride in dichloromethane. Unwanted isomers owing to the tosylation of the diarylamine were not formed. This compound was fully characterized by IR, UV/Vis, NMR, m/z, and mp, including an X-Ray single crystal structure determination. It was fragmented in an Atmospheric Solids Analysis Probe (ASAP) mass spectrometer showing a series of fragments down to phenazine. Full article

(This article belongs to the Section Organic Synthesis and Biosynthesis)

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5 pages, 234 KB

Open AccessCommunication

Synthesis and Characterization of Novel Pyridinium Salts of (E)-2-(Pyridin-4-ylmethylene)hydrazine-1-carboximidamide

by Fatemeh Ataie Alani, Fatemeh Ahmadian, Alireza Houshdar Tehrani and Salimeh Amidi

Molbank 2025, 2025(4), M2068; https://doi.org/10.3390/M2068 - 1 Oct 2025

Abstract

We report the synthesis and characterization of the novel pyridinium salts from (E)-2-(pyridin-4-ylmethylene)hydrazine-1-carboximidamide. The pyridinium salts were obtained via the reaction of guanylhydrazone derived from pyridine-4-carbaldehyde with phenacyl bromides. Structural characterization was carried out using IR, ¹H, and ¹³C [...] Read more.

We report the synthesis and characterization of the novel pyridinium salts from (E)-2-(pyridin-4-ylmethylene)hydrazine-1-carboximidamide. The pyridinium salts were obtained via the reaction of guanylhydrazone derived from pyridine-4-carbaldehyde with phenacyl bromides. Structural characterization was carried out using IR, ¹H, and ¹³C NMR spectroscopy and mass spectrometry. Full article

(This article belongs to the Section Organic Synthesis and Biosynthesis)

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Scheme 1

8 pages, 1375 KB

Open AccessShort Note

3-(4-Hydroxy-2,3,5-trimethylphenyl)-3-(4-hydroxyphenyl)isobenzofuran-1(3H)-one

by Brian A. Chalmers, David B. Cordes, Aidan P. McKay, Iain L. J. Patterson, Russell J. Pearson, Nadiia Vladymyrova and Iain A. Smellie

Molbank 2025, 2025(4), M2067; https://doi.org/10.3390/M2067 - 1 Oct 2025

Abstract

3-(4-hydroxy-2,3,5-trimethylphenyl)-3-(4-hydroxyphenyl)isobenzofuran-1(3H)-one is a derivative of the well-known acid/base indicator, phenolphthalein. We report the synthesis and the molecular structure of the title compound as determined by single-crystal X-ray diffraction. ¹H and ¹³C NMR spectroscopy, IR spectroscopy, and mass spectrometry data have been provided. Full article

(This article belongs to the Section Structure Determination)

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7 pages, 862 KB

Open AccessShort Note

Dichloro[2,5-bis(diisopropylphosphorimidoyl-κN-(4,6-dimethylpyrimidine-κN))pyrrole-κN]yttrium(III)·toluene

by Emily L. Trew, David Szucs and Paul G. Hayes

Molbank 2025, 2025(4), M2066; https://doi.org/10.3390/M2066 - 30 Sep 2025

Abstract

The compound dichloro[bis(diisopropylphosphorimidoyl-κN-(4,6-dimethylpyrimidine-κN))pyrrole-κN]yttrium(III) was synthesized from one equivalent of NaL [L = 2,5-[ⁱPr₂P=N(Pym^Me)]₂NH(C₄H₂); Pym^Me = 4,6-dimethylpyrimidine] and YCl₃(THF)_3.5 and crystallized from [...] Read more.

The compound dichloro[bis(diisopropylphosphorimidoyl-κN-(4,6-dimethylpyrimidine-κN))pyrrole-κN]yttrium(III) was synthesized from one equivalent of NaL [L = 2,5-[ⁱPr₂P=N(Pym^Me)]₂NH(C₄H₂); Pym^Me = 4,6-dimethylpyrimidine] and YCl₃(THF)_3.5 and crystallized from toluene. X-ray quality crystals of LYCl₂ were obtained with one toluene solvent molecule in the asymmetric unit. The geometry, bond lengths and angles were analyzed and found to contain similar parameters to comparable structures in the literature, and the product was further characterized by NMR spectroscopy. To the best of our knowledge, this is the first reported seven-coordinate Y(III) complex supported by a pentadentate ligand wherein all five donor atoms are nitrogen. Full article

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6 pages, 565 KB

Open AccessShort Note

(±)-2-(4-Isobutylphenyl)-N-(naphthalen-1-yl)propanamide

by Diyana Dimitrova, Iliyan Ivanov, Stanimir Manolov and Dimitar Bojilov

Molbank 2025, 2025(4), M2065; https://doi.org/10.3390/M2065 - 30 Sep 2025

Abstract

We describe the synthesis of (±)-2-(4-isobutylphenyl)-N-(naphthalen-1-yl)propanamide, followed by comprehensive structural characterization. The compound was analyzed through melting point determination, ¹H and ¹³C NMR spectroscopy, infrared spectroscopy, and mass spectrometry. The concordant results from these techniques provide clear evidence for [...] Read more.

We describe the synthesis of (±)-2-(4-isobutylphenyl)-N-(naphthalen-1-yl)propanamide, followed by comprehensive structural characterization. The compound was analyzed through melting point determination, ¹H and ¹³C NMR spectroscopy, infrared spectroscopy, and mass spectrometry. The concordant results from these techniques provide clear evidence for the successful preparation and structural confirmation of the target molecule. Full article

(This article belongs to the Section Structure Determination)

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6 pages, 1397 KB

Open AccessCommunication

A Tandem Photocycloaddition—Ring Expansion Strategy for the Synthesis of Fused [5.3.0] Triketone

by Xin-Yi Hsiao, Chern Chuang and Gary Jing Chuang

Molbank 2025, 2025(3), M2064; https://doi.org/10.3390/M2064 - 22 Sep 2025

Abstract

A tandem synthetic sequence involving photo-induced intramolecular [2+2] cycloaddition followed by acid-promoted ring expansion was developed to access the novel bicyclic triketone framework. The process begins with the UV (254 nm) irradiation of cyclic vinylogous ester, affording a highly strained cyclobutane-fused diketone in [...] Read more.

A tandem synthetic sequence involving photo-induced intramolecular [2+2] cycloaddition followed by acid-promoted ring expansion was developed to access the novel bicyclic triketone framework. The process begins with the UV (254 nm) irradiation of cyclic vinylogous ester, affording a highly strained cyclobutane-fused diketone in an 86% yield. This unique intermediate feature is of a fused four- and six-membered ring system with spatially compressed carbonyl groups. Upon acidic hydrolysis in aqueous MeCN, the strained system undergoes retro-aldol ring expansion, delivering [5.3.0] bicyclic triketones bearing a seven- and five-membered fused ring with three strategically oriented carbonyl units in a 75% yield. Structural elucidation was performed using NMR spectroscopy, UV-Vis, HRMS, and single-crystal X-ray crystallography. The method highlights a concise route for constructing a fused bicyclic triketone of relevance to synthetic and medicinal chemistry. Full article

(This article belongs to the Section Organic Synthesis and Biosynthesis)

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5 pages, 192 KB

Open AccessShort Note

1,1,1,3,3,3-Hexafluoropropan-2-yl 2,3,5,6-tetrafluoro-4-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)benzoate

by Sofia S. Kascheeva, Anastasiya V. Lastovka, Andrey S. Vinogradov and Dmitriy A. Parkhomenko

Molbank 2025, 2025(3), M2063; https://doi.org/10.3390/M2063 - 18 Sep 2025

Abstract

Acyl chloride alcoholysis is a fundamental and typically high-yielding method for ester synthesis. However, competitive side reactions can occur when the acyl chloride possesses multiple electrophilic sites and the alcohol is a strong nucleophile. We report an example of this phenomenon: the reaction [...] Read more.

Acyl chloride alcoholysis is a fundamental and typically high-yielding method for ester synthesis. However, competitive side reactions can occur when the acyl chloride possesses multiple electrophilic sites and the alcohol is a strong nucleophile. We report an example of this phenomenon: the reaction of pentafluorobenzoyl chloride with 1,1,1,3,3,3-hexafluoropropan-2-ol yields not only the expected ester but also a significant quantity of the 1,1,1,3,3,3-hexafluoropropan-2-yl 2,3,5,6-tetrafluoro-4-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)benzoate. The formation of the latter results from an effective nucleophilic aromatic substitution (S_NAr) at the para-fluorine position of the pentafluorophenyl ring by the hexafluoroisopropoxide anion. Full article

(This article belongs to the Collection Molecules from Side Reactions)

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Scheme 1

3 pages, 247 KB

Open AccessShort Note

1-((Dimethyl(3-((2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxy)propyl)silyl)oxy)-3,5,7,9,11,13,15-heptakis((dimethylsilyl)oxy)-octasilsesquioxane

by Analise C. H. Migliaccio, Andrea R. Kelley and Scott T. Iacono

Molbank 2025, 2025(3), M2062; https://doi.org/10.3390/M2062 - 17 Sep 2025

Abstract

The title compound was synthesized using Pt-catalyzed hydrosilylation of octasilane POSS and allyl 1H,1H-perfluorooctyl ether. The purity and structure were determined by NMR (¹H, ¹³C, ¹⁹F, ²⁹Si), and MALDI TOF-MS. Full article

(This article belongs to the Section Organic Synthesis and Biosynthesis)

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Scheme 1

5 pages, 424 KB

Open AccessShort Note

(R)-4-Acetyl-10-(2-chloro-1,3-thiazol-4-yl)-5,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0^2,7]trideca-1(13),4,6,9,11-pentaen-3-one

by Aleksandr S. Filimonov, Olga A. Luzina and Nariman F. Salakhutdinov

Molbank 2025, 2025(3), M2061; https://doi.org/10.3390/M2061 - 16 Sep 2025

Abstract

A novel usnic acid derivative with 2-chlorothiazole substituent was obtained by a three-step synthesis from usnic acid. The structure of the product was proved by a set of physical methods, including ¹H, ¹³C, HRMS, HSQC, HMBC and IR spectroscopy. Full article

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