Chin. J. Org. Chem. ›› 2017, Vol. 37 ›› Issue (10): 2705-2710.DOI: 10.6023/cjoc201704032 Previous Articles     Next Articles

Special Issue: 热点论文合辑

ARTICLE

新型吡唑酰基硫脲类化合物的设计合成、杀菌活性与分子对接研究

孙娜波a, 沈钟华b, 翟志文b, 韩亮b, 翁建全b, 谭成侠b, 刘幸海b   

  1. a 浙江树人大学生物与环境工程学院 杭州 310015;
    b 浙江工业大学化学工程学院 杭州 310014
  • 收稿日期:2017-04-18 修回日期:2017-06-02 发布日期:2017-06-16
  • 通讯作者: 刘幸海 E-mail:xhliu@zjut.edu.cn
  • 基金资助:

    浙江省自然科学基金(No.LY16C14007)和国家自然科学基金(No.31401691)资助项目.

Design,Synthesis,Fungicidal Activity and Docking Study of Acyl Thiourea Derivatives Containing Pyrazole Moiety

Sun Naboa, Shen Zhonghuab, Zhai Zhiwenb, Han Liangb, Weng Jianquanb, Tan Chengxiab, Liu Xinghaib   

  1. a College of Biology and Environmental Engineering, Zhejiang Shuren University, Hangzhou 310015;
    b College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014
  • Received:2017-04-18 Revised:2017-06-02 Published:2017-06-16
  • Contact: 10.6023/cjoc201704032 E-mail:xhliu@zjut.edu.cn
  • Supported by:

    Project supported by the Natural Science Foundation of Zhejiang Province (No.LY16C14007) and the National Natural Science Foundation of China (No.31401691).

A series of novel acyl thiourea derivatives containing pyrazole moiety were designed and synthesized from ethyl acetoacetate, triethyl orthoformate, methylhydrazine by multi-step reactions. Their structures were characterized by 1H NMR, 13C NMR and HRMS. The target compounds were evaluated for their fungicidal activity. The results indicated that some of the title compounds displayed certain fungicidal activities against Botryospuaeria berengeriana. The docking results indicated that the hydrogen bond and π(σ)-π interaction formed between N-((2,6-diethylphenyl)carbamothioyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide (6k) and succinodehydrogenase.

Key words: pyrazole, acyl thiourea, synthesis, fungicidal activity, docking