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

被引：71

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

页码：14198 / 14201

页数：4

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