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

共 50 条

[41] Efficient and reversible CO2 capture in bio-based ionic liquids solutions [J].

Latini, Giulio ;

Signorile, Matteo ;

Rosso, Francesca ;

Fin, Andrea ;

D'Amora, Marta ;

Giordani, Silvia ;

Pirri, Fabrizio ;

Crocella, Valentina ;

Bordiga, Silvia ;

Bocchini, Sergio .

JOURNAL OF CO2 UTILIZATION, 2022, 55

[42] Machine learning for the yield prediction of CO2 cyclization reaction catalyzed by the ionic liquids [J].

Li, Jinya ;

Dong, Shuya ;

An, Beibei ;

Zhang, Zhengkun ;

Li, Yuanyuan ;

Wang, Li ;

Zhang, Jinglai .

FUEL, 2023, 335

[43] Ionozyme: ionic liquids as solvent and stabilizer for efficient bioactivation of CO2 [J].

Ji, Xiuling ;

Xue, Yaju ;

Li, Zhuang ;

Liu, Yanrong ;

Liu, Lei ;

Busk, Peter Kamp ;

Lange, Lene ;

Huang, Yuhong ;

Zhang, Suojiang .

GREEN CHEMISTRY, 2021, 23 (18) :6990-7000

[44] Switching the Reaction Course of Electrochemical CO2 Reduction with Ionic Liquids [J].

Sun, Liyuan ;

Ramesha, Ganganahalli K. ;

Kamat, Prashant V. ;

Brennecke, Joan F. .

LANGMUIR, 2014, 30 (21) :6302-6308

[45] Molecular Design of High CO2 Reactivity and Low Viscosity Ionic Liquids for CO2 Separative Facilitated Transport Membranes [J].

Otani, Akihito ;

Zhang, Yong ;

Matsuki, Tatsuya ;

Kamio, Eiji ;

Matsuyama, Hideto ;

Maginn, Edward J. .

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2016, 55 (10) :2821-2830

[46] Efficient Selective CO2 Composite Sorbent from Amino Acid Ionic Liquids and Silica Gel: 2H NMR Spectroscopy Provides Insight on the CO2-Binding Mechanism and in-Pore Microscopic Viscosity [J].

Sheshkovas, Andrey Z. ;

Khudozhitkov, Alexander E. ;

Veselovskaya, Janna V. ;

Kolokolov, Daniil I. ;

Stepanov, Alexander G. ;

Ludwig, Ralf .

CHEMSUSCHEM, 2025, 18 (05)

[47] Imidazolium based ionic liquids bearing a hydroxyl group as highly efficient catalysts for the addition of CO2 to epoxides [J].

Denizalti, Serpil .

RSC ADVANCES, 2015, 5 (56) :45454-45458

[48] Synthesis of cinnamic acid-based ionic liquids and application in CO2 absorption [J].

Chen K. ;

Mei K. ;

Li H. ;

Wang C. .

Huagong Xuebao/CIESC Journal, 2016, 67 (02) :623-626

[49] Highly efficient synthesis of alkylidene cyclic carbonates from low concentration CO2 using hydroxyl and azolate dual functionalized ionic liquids [J].

Shi, Guiling ;

Zhai, Ran ;

Li, Haoran ;

Wang, Congmin .

GREEN CHEMISTRY, 2021, 23 (01) :592-596

[50] Efficient conversion of CO2 into quinazoline-2,4(1H,3H)-diones by glutarimide-based ionic liquids: Relationship among catalytic activity, CO2 absorption capacity, and the interaction force of cations and anions [J].

Zhang, Ruiyu ;

Sun, Xinyi ;

Wang, Li ;

Zhang, Jinglai .

SUSTAINABLE CHEMISTRY AND PHARMACY, 2025, 44

← 1 2 3 4 5 →