摘要
本文用4-氨基安替比林与顺丁烯二酸酐在三乙胺做催化剂的条件下,在甲苯中回流反应,合成了4-(2,5-二酮-2H-吡咯-1(5H)-基)安替比林(C_(15)H_(13)N_(3)O_(3)),并用三氯甲烷重结晶获得单晶结构。通过Gaussian 03W量子化学程序包,对该化合物进行了结构优化、NBO分析和原子自然电荷分析。对产物的红外光谱特征峰进行了解读。
4-(2,5-dioxo-2H-pyrrol-1(5H)-yl)antipyrine(C_(15)H_(13)N_(3)O_(3)) was synthesized from 4-Aminoantipyrine and cis-butenedioic anhydride by refluxing in toluene with triethylamine as catalyst.The product was recrystallized in chloroform solution and a single crystal structure was obtained.Furthermore,the structure optimization,NBO analysis,and atomic charge analysis for the compound were studied by Gaussian 03W quantum chemical calculations software.IR spectroscopy characteristic absorption bands of the compound were analyzed.
作者
郝杰
陈晖
高冬云
孙庆丽
张四平
黄长亮
HAO Jie;CHEN Hui;GAO Dongyun;SUN Qingli;ZHANG Siping;HUANG Changlian(Shandong Century Sunshine Technology Co.,Ltd.,Jining 272412,Shandong China)
出处
《染料与染色》
2025年第3期20-25,52,I0015,共8页
Dyestuffs and Coloration
