含三氟甲基苯基的三唑化合物的合成、晶体结构及杀菌活性研究  

Synthesis,Cyrstal Structure and Fungicidal Activity of New Triazole Compounds Containing Trifluoromethylphenyl Moiety

作　　者：余陈升 王翰 闵莉静[2] 韩亮[1] 史建俊[3] 刘幸海[1] Yu Chensheng;Wang Han;Min Lijing;Han Liang;Shi Jianjun;Liu Xinghai(College of Chemical Engineering,Zhejiang University of Technology,Hangzhou 310014;Key Laboratory of Vector Biology and Pathogen Control of Zhejiang Province,College of Life Science,Huzhou University,Huzhou,Zhejiang 313000;College of Chemistry&Chemical Engineering,Huangshan University,Huangshan,Anhui 245041)

机构地区：[1]浙江工业大学化学工程学院,杭州310014 [2]湖州师范学院生命科学学院,浙江省媒介生物学与病原控制重点实验室,浙江湖州313000 [3]黄山学院化学化工学院,安徽黄山245041

出　　处：《有机化学》2021年第11期4498-4503,共6页Chinese Journal of Organic Chemistry

基　　金：浙江省自然科学基金(Nos.LY19C140002,LY19B020009);浙江三赢新材料有限公司(No.KYY-HX-20200746)资助项目.

摘　　要：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^(1)H NMR,^(13)C 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50μg/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.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 ^(1)H NMR,^(13)C 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 50μg/mL.

关 键 词：合成 晶体结构 三唑类杀菌剂 分子对接 

分 类 号：TQ455.4[化学工程—农药化工]