2,2-′(吡咯烷-2,5-二亚基)二乙酸乙酯的合成及结构的理论研究

Synthesis of Diethyl 2,2′-(2,5-Pyrrolidinediylidene) bisAcetate and Theoretical Study of Its Structure

给出了用3,6-二氧辛二酸二乙酯和醋酸铵反应合成目标化合物2,2′-(吡咯烷-2,5-二亚基)二乙酸乙酯(Ⅳ)的具体方法并优化了反应条件.采用密度泛函方法,在B3LYP/6-311G**水平上计算了Ⅳ的优化构型和电荷分布.

The details for the synthesis of diethyl 2,2＇-（2,5-pyrrolidinediylidene）bis-acetate by reacting diethyl 3,6-dioxooctanedioate with ammonium acetate are given and the reaction conditions have been optimized. DFT calculations at B3LYP/6-311G^＊＊ level of theory were carried oat to optimize the structure of Ⅳ and calculate the atomic charge distribution.