Design, Synthesis, and Insecticidal Evaluation of Neonicotinoids with Conjugated Diene.

Neonicotinoid insecticides acting on the insect nicotinic acetylcholine receptors (nAChRs) play an essential role in contemporary pest control. In the present study, a series of novel neonicotinoid analogues with conjugated diene were synthesized. Bioassays indicated that compounds and had LC values of 1.26 and 1.24 mg/L against , respectively, which were comparable to that of imidacloprid (IMI, LC = 0.78 mg/L). Density functional theory (DFT) calculations were performed to explain the differences in the insecticidal activities of target compounds. Molecular docking results indicate that compounds and interact favorably with AChBP. The hydrolysis experiments confirmed that the stability of compounds and was enhanced in water.