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

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Abstract

A variety of pyrazole derivatives containing 1,3,4-thiadiazole moiety were synthesized under micro-wave irradiation, and their structures were confirmed by 1H NMR and HRMS. They were evaluated for herbicidal and antifungal activities, and the results indicated that two compounds with a phenyl group (6a) and 4-tert-butylphenyl group (6n) possess good herbicidal activity for dicotyledon Brassica campestris and Raphanus sativus with the inhibition of 90% for root and 80%–90% for stalk at 100 ppm respectively. The structure-activity relationship of compounds 6a and 6n was also studied by density function theory method.

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Acknowledgements

This work was supported financially by Zhejiang Provincial Science Foundation of China (No. LY16C140007) and Research Institute Special Program of Department of Science and Technology of Zhejiang Province (No. 2015F50030).

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Authors and Affiliations

  1. Linjiang College, Hangzhou Vocational & Technical College, Hangzhou, 310018, China

    Xiaoming Ding & Luping Lv

  2. College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014, China

    Zhiwen Zhai, Zhaohui Sun & Xinghai Liu

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  1. Xiaoming Ding
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  2. Zhiwen Zhai
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Correspondence to Xinghai Liu.

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Ding, X., Zhai, Z., Lv, L. et al. Design, synthesis, biological activity and density function theory study of pyrazole derivatives containing 1,3,4-thiadiazole moiety. Front. Chem. Sci. Eng. 11, 379–386 (2017). https://doi.org/10.1007/s11705-017-1634-2

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  • DOI: https://doi.org/10.1007/s11705-017-1634-2

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