Synthesis, antimicrobial and DFT studies of novel fused thiazolopyrimidine derivatives

Heterocyclic communications

article

Richa Gupta¹  Ram Pal Chaudhary¹ 

[1] Department of Chemistry, Sant Longowal Institute of Engineering and Technology

关键词: antimicrobial activities;    arylidene derivatives;    chalcone;    DFT studies;    spectral data;    4-thiazolidinone;   

DOI  :  10.1515/hc-2013-0024

学科分类：内科医学

来源: De Gruyter

【 摘 要 】

The reaction of dihydropyrimidine-2(1 H ) - thione 4 , obtained by the condensation of chalcone 3 with thiourea, with chloroacetic acid and 1,2-dibromoethane furnished compounds 5 and 6 and not their respective isomers 8 and 9 . The regiochemistry of the cyclized products and their structure was established by elemental analysis, 1 H NMR, 13 C NMR, IR and mass spectral data. Density functional theory (DFT) calculations have been carried out for compound 5a and its isomer 8a with Jaguar version 6.5112 using B3LYP density functional method and 6–31G** basis set. 1 H and 13 C NMR spectra of compound 5a and its possible isomer 8a have been calculated and correlated with experimental results. 2-Arylidene derivatives of 5 were obtained by two routes and their structure was established by spectral data. Compounds 4–7 were screened for their antimicrobial activities.

【 授权许可】

CC BY|CC BY-NC-ND