N-异壬酰基-N'-取代芳基硫脲的简便合成、晶体结构及生物活性  

Simple Synthesis,Crystal Structure and Biological Activities of N-Isononanoyl-N'-arylthioureas

作　　者：张有明[1] 陈小春[1] 陈靖[1] 王爱霞[1] 魏太保[1] 

机构地区：[1]西北师范大学化学化工学院甘肃省高分子材料重点实验室,兰州730070

出　　处：《有机化学》2009年第5期753-757,共5页Chinese Journal of Organic Chemistry

基　　金：国家自然科学基金(No.20671077);甘肃省自然科学基金(No.3ZS061-A25-027);甘肃省中青年科技研究基金(No.3YS051-A25-010)资助项目

摘　　要：在无溶剂条件下,以固体光气、异壬酸、硫氰酸钾以及芳胺为原料进行一系列反应,简单、快速、高效地合成了一系列N-异壬酰基-N'-芳基硫脲类衍生物.其结构经IR,1HNMR,13CNMR进行了表征.用X射线单晶衍射测定了化合物4g的晶体结构,该化合物为单斜晶系,P2(1)/n空间群,晶胞参数为:a=1.4365(4)nm,b=0.7979(2)nm,c=1.5521(4)nm,β=94.814(4)°,V=1.7726(8)nm3,Dx=1.264Mg?m-3,Z=4,F(000)=720,μ=0.200mm-1,R=0.058,wR=0.231.化合物4g晶体结构表明,该硫脲分子通过分子间氢键和分子间作用力形成了无限延伸的层状结构.初步生物活性试验结果表明,该系列部分化合物对油菜幼苗的生长具有一定的生长调节作用.A series of new N-isononanoyl-N＇arylthiourea compounds were synthesized simply rapidly and high efficiently by serial reactions of triphosgene, isononanoic acid, potassium thiocyanate and aromatic amines, under solvent-free conditions, and confirmed by IR, ^1H NMR and ^13C NMR spectra. The crystal structure of compound 4g was determined by X-ray single crystal diffraction analysis. It belongs to monoclinic system with space group P2（1）/n, and a= 1.4365（4） nm, b=0.7979（2） nm, c= 1.5521（4） nm, β= 94.814（4）°, V= 1.7726（8） nm^3, Dx= 1.264 Mg·m^-3, Z=4, F（000）=720, μ=0.200 mm^-1, R=0.058, and wR=0.231. The crystal structure of compound 4g shows that the compound was assembled to a layered structure by intermolecular hydrogen bond and the force between the moleculars of each layer. The preliminary biological activity tests show that some of the title compounds have some regulating activities for the growth of rape.

关 键 词：固体光气 异壬酸 无溶剂 硫脲 晶体结构 

分 类 号：TQ450.2[化学工程—农药化工]