《化学科学与工程前沿(英文)》
>> 2017年
第11卷
第3期
doi:
10.1007/s11705-017-1634-2
RESEARCH ARTICLE
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
录用日期:
2017-05-18
发布日期:
2017-08-23
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摘要
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.