Synthesis, insecticidal activities and DFT study of pyrimidin-4-amine derivatives containing the 1,2,4-oxadiazole motif  

作　　者：Yong-Hui Wen Long Cheng Tian-Ming Xu Xing-Hai Liu Ning-Jie Wu 

机构地区：[1]College of Chemical Engineering,Zhejiang University of Technology,Hangzhou 310014,China [2]Zhejiang Base of National Southern Pesticide Research Centre,Zhejiang Research Institute of Chemical Industry,Hangzhou 310023,China

出　　处：《Frontiers of Chemical Science and Engineering》2022年第7期1090-1100,共11页化学科学与工程前沿（英文版）

基　　金：funded by the Zhejiang Provincial Natural Science Foundation of China(Grant No.LY19C140002);the Company of Three Win(Grant No.KYY-HX-20200746);Research Fund of Department of Education of Zhejiang Province(Grant No.Y202043162).

摘　　要：Twenty six novel pyrimidin-4-amine derivatives containing the 1,2,4-oxadiazole motif were synthesized. Their chemical structures were confirmed by ^(1)H nuclear magnetic resonance (NMR), ^(13)C NMR, and high-resolution mass spectrography. The insecticidal activity results indicated that some of them possessed excellent insecticidal activity (100%) against Mythimna separate, especially for compounds 6d, 6f, 6o, 6w, 6y and 6z. These compounds exhibited no activity against the insects Aphis medicagini and Tetranychus cinnabarinus. The structure- insecticidal activity relationships are discussed. Density functional theory analysis can potentially be used to design more active compounds. These results provide useful insecticide design information for further optimization.

关 键 词：synthesis pyrimidin-4-amine derivatives 1 2 4-oxadiazole insecticidal activity structure-activity relationship 

分 类 号：O62[理学—有机化学]