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

2022, Volume 16, Issue 7

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Frontiers of Chemical Science and Engineering >> 2022, Volume 16, Issue 7 doi: 10.1007/s11705-021-2091-5

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

Available online: 2021-11-04

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Abstract

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.

Keywords

synthesis ; pyrimidin-4-amine derivatives ; 1 ; 2 ; 4-oxadiazole ; insecticidal activity ; structure-activity relationship

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