Facile and efficient synthesis of benzoxazole derivatives using novel catalytic activity of PEG-SO 3 H

Chikhale, Rupesh; Pant, Amit; Menghani, Sunil; Wadibhasme, Pankaj G.; Khedekar, Pramod B.

doi:10.1016/j.arabjc.2014.06.011

Cited by 19 publications

(13 citation statements)

References 35 publications

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“…27 Free 5-chloro-2-methylbenzoxazole shows strong intensity bands at 1608 cm -1 and 1253 cm −1 , with the two bands being assigned to the C=N and C-O stretching vibrations of the oxazole group, respectively. 28,29 The C=N band in the Zn(II) complex (Fig. S2) is shifted to lower wavenumber (1600 cm -1 ) indicating the participation of benzoxazole nitrogen in coordination with the Zn(II) ion.…”

Section: Ft-ir Spectramentioning

confidence: 99%

Zinc(II) Complex Containing Oxazole Ring: Synthesis, Crystal Structure, Characterization, DFT Calculations, and Hirshfeld Surface Analysis

Ali

Mohamad

Gerber

et al. 2022

ACSi

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A new complex of Zn(II), with 5-chloro-2-methylbenzoxazole ligand (L), has been synthesized by the reaction of zinc dichloride with the ligand (L= C8H6ClNO) in ethanol solution: dichloridobis(5-chloro-2-methyl-1,3-benzoxazole)-zinc(II), C16H12Cl4N2O2Zn. The synthesized complex has been fully characterized by elemental analysis, molar conductivity, FT‑IR, UV‑Vis, and single-crystal X-ray diffraction (XRD). The XRD analysis reveals that the complex has a 1:2 metal-to-ligand ratio. The zinc(II) complex has a distorted tetrahedral geometry with two coordinated nitrogen atoms from the ligand. Density Functional Theory (DFT) calculations were performed at the B3LYP level of theory using the LANL2DZ basis set for metal complex and the 6–31G(d) basis set for non-metal elements to determine the optimum geometry structure of the complex, and the calculated HOMO and LUMO orbital energies were presented. A natural bond orbital (NBO) analysis was carried out on the molecules to analyze the atomic charge distribution before and after the complexation of the ligand. The Hirshfeld surface mapped over dnorm, shape index, and curvature exhibited strong H... Cl/Cl...H and H...H intermolecular interactions as the principal contributors to crystal packing.

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Section: Ft-ir Spectramentioning

confidence: 99%

Zinc(II) Complex Containing Oxazole Ring: Synthesis, Crystal Structure, Characterization, DFT Calculations, and Hirshfeld Surface Analysis

Ali

Mohamad

Gerber

et al. 2022

ACSi

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“…[11][12][13][14][15][16][17][18][19][20][21] Nevertheless, the efficacy of graphene oxide hybrid catalysts is still unexplored in the synthesis of benzoxazoles which possess utmost importance in synthetic organic chemistry owing to their biological and therapeutic activities. [22][23][24] These moieties have been effectively utilized in the treatment of cancer and insomnia. In addition, these molecules also act as molecular probes in the treatment of Alzheimer's disease and has therapeutic potential as anxiolytics and anticonvulsants.…”

Section: Introductionmentioning

confidence: 99%

A simple and straightforward strategy for expedient access to benzoxazoles using chemically engineered 2D magnetic graphene oxide nanosheets as an eco-compatible catalyst

Sharma¹,

Sharma²,

Dutta³

et al. 2023

Dalton Trans.

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“…Earlier, we have reported the development of various heterocyclic scaffolds like pyrimidines and benzazoles as anti-bacterial and anti-tubercular agents. [10][11][12] In continuation to our efforts we aim to hit this newly validated target for the development of novel antibacterial agents on the basis of structural analogy and molecular docking studies. The pyridopyrimidine scaffolds provides for a wide range of activity like Bcr-abl inhibitors [13] , MexAB-OprM efflux pump inhibitor [14] , Adenosine kinase inhibitors [15] , PI3K/mTOR dual inihibition [16] , Jak1/2 inhibitor [17] , cell cycle inhibition [18] , antitubercular activity [19,20] , antioxidant activity [21] and antibacterial activity.…”

Section: Introductionmentioning

confidence: 99%

Design, Synthesis and Antibacterial Studies of Some New Pyridopyrimidine Derivatives as Biotin Carboxylase Inhibitors

Panchabhai

Ingole

Butle

2021

Bulletin of Faculty of Pharmacy, Cairo University

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Present study reports the development of novel pyridopyrimidine derivatives as biotin carboxylase inhibitors with potent antibacterial activity. These compounds were designed to avoid possibility of resistance development. Accordingly eighteen compounds were synthesised and characterized on the basis of spectral data. These compounds were tested for their antibacterial potential by the enzyme kinetic assay against the biotin carboxylase. The minimum inhibitory concentration (MIC) and single step resistance studies were also performed. Compound 2-((2-Phenylpyrido[2,3-d] pyrimidin-4-yl)amino)phenol (6o) showed promising activity in biotin carboxylase inhibition with low MIC. It showed molecular docking score of -7.96, this compound showed formation of hydrogen bonds with the active site residues and van Der Walls interactions. The MIC of compounds under investigation was in the rage of 2-5µg/mL over most of the strains studied. It also showed the mutant selection windows of around five which is better than the reference compound rifampin. This compound 6o can be studied further and developed into a potential antibacterial lead molecule.

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Facile and efficient synthesis of benzoxazole derivatives using novel catalytic activity of PEG-SO 3 H

Cited by 19 publications

References 35 publications

Zinc(II) Complex Containing Oxazole Ring: Synthesis, Crystal Structure, Characterization, DFT Calculations, and Hirshfeld Surface Analysis

Zinc(II) Complex Containing Oxazole Ring: Synthesis, Crystal Structure, Characterization, DFT Calculations, and Hirshfeld Surface Analysis

A simple and straightforward strategy for expedient access to benzoxazoles using chemically engineered 2D magnetic graphene oxide nanosheets as an eco-compatible catalyst

Design, Synthesis and Antibacterial Studies of Some New Pyridopyrimidine Derivatives as Biotin Carboxylase Inhibitors

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