期刊信息
- 刊名： 河北师范大学学报（自然科学版）Journal of Hebei Normal University (Natural Science)
- 主办： 河北师范大学
- ISSN： 1000-5854
- CN： 13-1061/N
- 中国科技核心期刊
- 中国期刊方阵入选期刊
- 中国高校优秀科技期刊
- 华北优秀期刊
- 河北省优秀科技期刊
The Theoretical and Experimental Research on Synthesis of N-aminophenyl-β-enamine Ester
摘要/Abstract
采用Gaussian03程序，应用密度泛函量化计算(DFT)方法，在B3LYP/6-31G机组水平上通过构型优化、热力学分析、电荷分布等分析，从理论上研究了乙酰乙酸乙酯与邻苯二胺制备N-邻苯氨基-β-烯胺酯的反应，提出了该反应可能的机理，并在此理论前提下对该反应进行了实验研究。实验结果表明:N-邻苯氨基-β-烯胺酯为反应的主要产物，和理论研究结果相符；以二氯甲烷为溶剂，冰醋酸为催化剂，在加热回流的条件下，N-邻苯氨基-β-烯胺酯的产率可达92%。该方法反应条件温和，操作简便，收率稳定。
A theoretical study on the reaction of ethyl acetoacetate with o-phenylenediamine was made by geometry optimization,thermodynamic analysis,and the charge distribution analysis.The mechanism of the reaction was put forward.The experimental research was performed for the reaction of ethyl acetoacetate with o-phenylenediamine.The results show that the N-aminophenyl-β-enamine ester was major product with 92 % yield by using dichloromethane as solvent,glacial acetic acid as catalyst under heating reflux condition.The method has advantages in terms of stable product yield,operational simplicity(easy work up of reactions),and environmental friendliness(non-corrosive reagent).