摘要/Abstract

为了寻找高杀菌活性的农药先导化合物, 以烯效唑为先导化合物, 设计合成了一系列含三氟甲基苯基的三唑类化合物, 其结构经¹H NMR, ¹³C NMR和HRMS进行了确证, 且(E)-1-苯基-2-(1H-1,2,4-三唑-1-基)-3-(4-三氟甲基苯基)烯丙基苯甲酸酯(5a)经过X单晶衍射认证. 初步的生物活性测定结果表明, 在50 μg/mL的浓度下, 目标化合物对所测菌类均有一定的杀菌活性, 其中对油菜菌核病菌和水稻纹枯病菌的杀菌效果最佳.
关键词: 合成, 晶体结构, 三唑类杀菌剂, 分子对接
In order to find new lead compounds with high activity, a series of 1,2,4-triazole compounds were designed and synthesized by using Uniconazole as temple compound. Their structures were confirmed by ¹H NMR, ¹³C NMR and HRMS spectra, and the crystal structure of (E)-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-(4-(trifluoromethyl)phenyl)allyl-benzoate (5a) was determined by X-ray single crystal diffraction. The bioassay data showed that some of target compounds 5 exhibited good activity (>50%) against Sclerotinia sclerotiorum and Rhizoctonia solanimore at 50 μg/mL.
Key words: synthesis, crystal structure, triazole fungicides, molecular docking


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