Citation: Sun Nabo, Shen Zhonghua, Zhai Zhiwen, Han Liang, Weng Jianquan, Tan Chengxia, Liu Xinghai. Design, Synthesis, Fungicidal Activity and Docking Study of Acyl Thiourea Derivatives Containing Pyrazole Moiety[J]. Chinese Journal of Organic Chemistry, ;2017, 37(10): 2705-2710. doi: 10.6023/cjoc201704032 shu

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

a.
College of Biology and Environmental Engineering, Zhejiang Shuren University, Hangzhou 310015
b.
College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014

Corresponding author: Liu Xinghai, xhliu@zjut.edu.cn
Received Date: 18 April 2017
Revised Date: 2 June 2017
Available Online: 16 October 2017
Fund Project: the Natural Science Foundation of Zhejiang Province LY16C14007Project supported by the Natural Science Foundation of Zhejiang Province (No. LY16C14007) and the National Natural Science Foundation of China (No. 31401691)the National Natural Science Foundation of China 31401691

Figures(3)

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.
- pyrazole,
- acyl thiourea,
- synthesis,
- fungicidal activity,
- docking
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