Computer-Assisted Design of Ionic Liquids for Efficient Synthesis of 3(2H)-Furanones: A Domino Reaction Triggered by CO2

被引：68
|
作者：
Chen, Kaihong [1 ]
Shi, Guiling [1 ]
Zhang, Weidong [1 ]
Li, Haoran [1 ]
Wang, Congmin [1 ,2 ]
机构：
[1] Zhejiang Univ, Dept Chem, ZJU NHU United R&D Ctr, Hangzhou 310027, Zhejiang, Peoples R China
[2] Zhejiang Univ, Minist Educ, Key Lab Biomass Chem Engn, Hangzhou 310027, Zhejiang, Peoples R China
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2016年 / 138卷 / 43期
基金：
中国国家自然科学基金;
关键词：
CARBON-DIOXIDE; FACILE SYNTHESIS; CAPTURE; TRANSFORMATION; ACTIVATION; BASICITY; CYCLOADDITION; CYCLIZATION; ABSORPTION; CATALYSIS;
D O I：
10.1021/jacs.6b08895
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A strategy for the highly efficient synthesis of 3(2H)-furanones by hydration of diyne alcohols catalyzed by base-functionalized ionic liquids under atmospheric-pressure CO2 that was developed through computer-assisted design is reported. The best range of basic ionic liquids as catalysts was predited at first, and [HDBU] [BenIm] exhibited the highest catalytic activity. Through a combination of. NMR spectroscopic investigations and quantum-chemical calculations, the results indicated the importance of the basicity of the anion and the species of cation in the ionic liquid.
引用
收藏
页码：14198 / 14201
页数：4
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