对甲苯磺酰胺基乙酰腙类化合物的生物活性及其量子化学计算  

Biology Activity and Quantum Chemical Calculation of p-Toluene Sulfonylamido Acetacylhydrazone Derivatives

作　　者：魏太保[1] 冷艳丽[1] 王永成[1] 张建辉[1] 张有明[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2期216-221,共6页Chinese Journal of Organic Chemistry

基　　金：国家自然科学基金(No.20671077);教育部科学技术研究重点(No.205161);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);甘肃省教育厅研究生导师科研(No.0601-24)资助项目

摘　　要：以对甲苯磺酰氯为原料,通过与氨基乙酸反应得到中间体对甲苯磺酰氨基乙酸,再经酯化、肼解得到对甲苯磺酰氨基乙酰肼,然后与相应的醛缩合得一系列对甲苯磺酰胺基乙酰腙类化合物.其结构经元素分析,IR,1HNMR和13CNMR确证.采用量子化学方法,在DFT-B3LYP/6-31G*水平上计算了标题化合物4a～4g的反应热、电荷分布和前线轨道能级.初步生物活性试验结果表明该系列部分化合物在不同浓度下对植物的生长调节表现出一定的规律性.A series of p-toluene sulfonylamido acetacylhydrazone derivatives were synthesized from p-toluenesulfonyl chloride which reacted with glycine to get the intermediate p-toluene sulfonylamido glycine, then through the esterification, hydrazinolysis to afford another intermediate p-toluene sulfonylamido acethydrazide, which condensed with different aldehydes to obtain the target compounds that were characterized by IR,^ 1H NMR,^ 13C NMR spectra and elemental analysis. The DFT-B3LYP methods with 6-31G＊ basis set have been applied to the advanced reaction energy, the charges distribution and the linear orbital level of the title compounds 4a-4g. The plant growth regulating activity tests showed that part of the compounds had good activity as plant growth regulator.

关 键 词：对甲苯磺酰胺基乙酰腙 合成 量子化学计算 生物活性 

分 类 号：O621.1[理学—有机化学]