An economic, sustainable, and straightforward environmentally friendly synthesis of highly diversified polyfunctional dihydrothiophenes is successfully achieved via diisopropyl ethyl ammonium acetate as a room-temperature ionic liquid. Multicomponent synthesis contains domino processes; the benefit of this present protocol is highlighted by its readily available starting materials, superior functional group tolerance, purity of synthesized compounds was checked by high-performance liquid chromatography results in up to 99.7% purity for the synthesized compounds, reaction mass efficiency, effective mass yield, and excellent atom economy. In addition, a series of 2-(-carbamoyl acetamide)-substituted 2,3-dihydrothiophene analogs were synthesized, and selected samples were chosen for testing their in vitro antibacterial and antifungal activities. Furthermore, a molecular docking study against sterol 14α-demethylase could provide valuable insight into the mechanism of antifungal action providing an opportunity for structure-based lead optimization.
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http://dx.doi.org/10.1021/acsomega.0c03575 | DOI Listing |
Nat Prod Res
December 2024
Department of Pharmacognosy and Phytochemistry, L.M. College of Pharmacy, Ahmedabad, India.
Dubard is a highly reputed medicinal plant of Ayurveda. In the current study, High-performance Thin-layer chromatographic (HPTLC) techniques were established for the analysis of triterpenoids like lupeol (LU), betulinic acid (BA), epimeric flavan-3-ols (+)-catechin (CA), and (-)-epicatechin (ECA), in its leaf and stembark. HPTLC separation was performed using petroleum ether: ethyl acetate: toluene: formic acid (7:2:1:0.
View Article and Find Full Text PDFJ Phys Chem B
March 2024
Faculty of Biological Science and Technology, Institute of Science and Engineering, Kanazawa University, Kanazawa, Ishikawa 920-1192, Japan.
Med Chem
September 2024
Department of Pharmaceutical Chemistry, School of Pharmacy, Faculty of Health Sciences, Aristotle University of Thessaloniki, Thessaloniki, 54124, Greece.
Introduction: Neuro-inflammation is a complex phenomenon resulting in several disorders. ALOX-5, COX-2, pro-inflammatory enzymes, and amino acid neurotransmitters are tightly correlated to neuro-inflammatory pathologies. Developing drugs that interfere with these targets will offer treatment for various diseases.
View Article and Find Full Text PDFPhys Chem Chem Phys
February 2024
College of Chemistry, Sichuan University, Chengdu, Sichuan 610064, P. R. China.
The mechanism of cationic polymerization of isobutylene catalyzed by -BuCl/ethylaluminum dichloride (EADC) combined with bis(2-chloroethyl)ether (CEE) in -hexane solvent has been investigated using molecular dynamics (AIMD) and metadynamics (MTD) simulations. The results indicated that the polyisobutylene (PIB) initiation stage involves a clear two-step mechanism. Calculation of the free energy landscapes of the other two ether reactions reveals that the energy barriers of diisopropyl ether (i-PrO) and 2-chloroethyl ethyl ether (CEEE) are much higher than those of CEE, which is consistent with the experimental results.
View Article and Find Full Text PDFInorg Chem
December 2023
Innovation Center for Chemical Sciences, Key Laboratory of Organic Synthesis of Jiangsu Province, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, China.
Treatment of N-heterocyclic carbene (NHC) ligated germylidenylphosphinidene MFluid-GeP(NHC) (where MFluid is a bulky hydrindacene substituent, and NHC is 1,3-diisopropyl-4,5-dimethyl-imidazolin-2-ylidene) with mesityl azide and 4-tertbutylphenyl azide afforded NHC coordinated formal germanimidoyl-phosphinidenes, which represent the first compounds bearing both Ge═N double bond and phosphinidene functionalities. Studies of the chemical properties revealed that the reactions preferred to occur at the Ge═N double bond, which underwent [2 + 2] cycloadditions with CO and ethyl isocyanate, and coordinated with coinage metals through the nitrogen atom.
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