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期刊论文 2

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2017 2

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Design, synthesis, biological activity and density function theory study of pyrazole derivatives containing

Xiaoming Ding, Zhiwen Zhai, Luping Lv, Zhaohui Sun, Xinghai Liu

《化学科学与工程前沿（英文）》 2017年第11卷第3期页码 379-386 doi: 10.1007/s11705-017-1634-2

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.

关键词： pyrazole 1 3 4-thiadiazole antifungal activity herbicidal activity density function theory

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Synthesis and

Wen Zhao, Jiahua Xing, Tianming Xu, Weili Peng, Xinghai Liu

《化学科学与工程前沿（英文）》 2017年第11卷第3期页码 363-368 doi: 10.1007/s11705-016-1595-x

摘要： Pyrazole carboxamide derivatives represent an important class of fungicides in agrochemicals. To find more novel structural pyrazole carboxamides, a novel series of 3-(trifluoromethyl)-1 -pyrazole-4-carboxamide compounds were prepared from ethyl 4,4,4-trifluoroacetoacetate and triethyl orthoformate as starting materials. All the products were characterized by Fourier transform infrared spectroscopy, H nuclear magnetic resonance (NMR), C NMR, F NMR and mass spectrography. The bioassay results showed these fluorine-containing pyrazole carboxamides have a weak fungicidal activity but some of them exhibit a good nematocidal activity against .

关键词： fluorinated pyrazole carboxamide synthesis nematocidal activity structure and activity relationship