4-对甲氧基苯亚胺基-3-三氟甲基-1H-1,2,4-三唑-5-硫酮的合成、晶体结构及抑菌活性  

Synthesis and Fungicidal Activity of 4-((4-Methoxybenzylidene)amino)-3-trifluoromethyl-1H-1,2,4-triazole-5-thione

作　　者：孙晓风[1] 董风英[1] 赵鑫[1] 孙云明[1] 

机构地区：[1]青岛农业大学化学与药学院,山东青岛266109

出　　处：《农药》2015年第6期403-406,共4页Agrochemicals

基　　金：青岛农业大学高层次人才培养基金(630916)

摘　　要：[目的]合成化合物4-对甲氧基苯亚胺基-3-三氟甲基-1H-1,2,4-三唑-5-硫酮(1),测定其单晶结构,并研究其对农业真菌的抑菌效果。[方法]以CS2、水合肼为原料,经环化、缩合反应制备化合物1,用IR、NMR、MS和X射线单晶衍射表征其结构,生长速率法进行抑菌活性实验。[结果]化合物1结晶为三斜晶系,苯环与三唑环之间的亚胺键呈反式结构,晶体存在分子内和分子间氢键;化合物对6种农业真菌均有抑制作用(100 mg/L)。[结论]晶体结构得到确证,化合物1可用于抑菌剂的筛选。[Aims] The paper aims to synthesizethe compound 4-（（4-methoxybenzylidene）amino）-3-trifluoromethyl- 1H-1,2,4-triazole-5-thione （1） and to measureits crystal structure, and then to test theirfungicidal activities against six agricultural fungi as well. [Methods] The compound was synthesized by cyclization and condensation using CS2 and hydrazine hydrate, etc., its structure was confirmed by IR, IH NMR and X-ray crystallography. The fungicidal activities were tested by mycelium growth rate method. [Results] The compound 1 crystallizes in triclinic crystal system, the imine double bond between benzene ring and lriazole ring is in trans, the intramolecular and intermolecular hydrogen bonds are found in crystal stacking. The compound 1 exhibits fungicidal activity to six agricultural fungi at the dosage of 100 mg/L. [Conclusions] The crystal structure of compound 1 was confirmed. The compound can be a potential fungicide.

关 键 词：三唑 合成 晶体结构 抑菌活性 

分 类 号：TQ450.1[化学工程—农药化工]