Design, synthesis, biological activity and density function theory study of pyrazole derivatives containing 1,3,4-thiadiazole moiety

2017, Volume 11, Issue 3

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Frontiers of Chemical Science and Engineering >> 2017, Volume 11, Issue 3 doi: 10.1007/s11705-017-1634-2

Design, synthesis, biological activity and density function theory study of pyrazole derivatives containing 1,3,4-thiadiazole moiety

. Linjiang College, Hangzhou Vocational & Technical College, Hangzhou 310018, China.. College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China

Accepted: 2017-05-18 Available online: 2017-08-23

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Abstract

A variety of pyrazole derivatives containing 1,3,4-thiadiazole moiety were synthesized under microwave irradiation, and their structures were confirmed by H NMR and HRMS. They were evaluated for herbicidal and antifungal activities, and the results indicated that two compounds with a phenyl group ( ) and 4- -butylphenyl group ( ) possess good herbicidal activity for dicotyledon and with the inhibition of 90% for root and 80%–90% for stalk at 100 ppm respectively. The structure-activity relationship of compounds and was also studied by density function theory method.

Keywords

pyrazole ; 1 ; 3 ; 4-thiadiazole ; antifungal activity ; herbicidal activity ; density function theory

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