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Published on: November 9, 2019
Theoretical insights on boron reducing agent for the reduction of carbonyl compounds
Nana Ma1, Qingli Xu1, Guisheng Zhang1
1School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, NMPA Key Laboratory for Research and Evaluation of Innovative Drug, Henan Normal University, Xinxiang, Henan, 453007, China. mann076@htu.edu.cn.
Abstract:
In this perspective, we present computational progress in the reduction of carbonyl compounds using boron reducing agents, such as L·BH3, HBcat, HBpin, and 9-BBN. For the catalytic reduction reactions, establishing a catalytic mechanism will provide an important theoretical basis for the improvement of a more efficient combination of reducing agents and catalysts. Current computational studies reveal that the mechanisms of reactions are different due to the various combinations of electrophilic boron reducing agents and catalysts (transition-metal catalyst, main group metal catalysts, and metal-free frustrated Lewis pair). We discuss the role of boron reducing agents on the efficiency of reactions and believe that possible Lewis acid-base interaction between B, M and O, H existing in boron reducing agent, unsaturated substances, and catalyst should be considered fully. A tentative outlook on future opportunities of this research field is proposed.
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