Synthesis, insecticidal activities and DFT study of pyrimidin-4-amine derivatives containing the 1,2,4-oxadiazole motif
Yong-Hui Wen , Long Cheng , Tian-Ming Xu , Xing-Hai Liu , Ning-Jie Wu
Front. Chem. Sci. Eng. ›› 2022, Vol. 16 ›› Issue (7) : 1090 -1100.
Synthesis, insecticidal activities and DFT study of pyrimidin-4-amine derivatives containing the 1,2,4-oxadiazole motif
Twenty six novel pyrimidin-4-amine derivatives containing the 1,2,4-oxadiazole motif were synthesized. Their chemical structures were confirmed by 1H nuclear magnetic resonance (NMR), 13C 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.
synthesis / pyrimidin-4-amine derivatives / 1,2,4-oxadiazole / insecticidal activity / structure-activity relationship
Higher Education Press
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