QSAR analysis of the catalytic asymmetric ethylation of ketone using physical steric parameters of chiral ligand substituents

Huayin Huang; Hua Zong; Bin Shen; Huifeng Yue; Guangling Bian; Ling Song

doi:10.1016/j.tet.2013.12.054

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QSAR analysis of the catalytic asymmetric ethylation of ketone using physical steric parameters of chiral ligand substituents

Journal article

Peer reviewed

QSAR analysis of the catalytic asymmetric ethylation of ketone using physical steric parameters of chiral ligand substituents

Huayin Huang, Hua Zong, Bin Shen, Huifeng Yue, Guangling Bian and Ling Song

Tetrahedron, Vol.70(6), pp.1289-1297

11/02/2014

DOI: https://doi.org/10.1016/j.tet.2013.12.054

Abstract

Chemistry

Chemistry, Organic

Physical Sciences

Science & Technology

We have demonstrated that a validated QSAR (quantitative structure activity relationship) model can be constructed between sterimol steric parameters of the N-substituents of chiral 1,2-amino-phosphoramide ligands and the enantiomeric ratios of alcohol products produced in the asymmetric additions of diethylzinc to acetophenone, which is powerful for predicting the steric effects of ligand substituents on enantioselectivities and instructive for ligand optimization. (C) 2013 Elsevier Ltd. All rights reserved.

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Title: QSAR analysis of the catalytic asymmetric ethylation of ketone using physical steric parameters of chiral ligand substituents
Creators - without role: Huayin Huang - Institute of Technology of Cambodia
Hua Zong - Institute of Technology of Cambodia
Bin Shen - Institute of Technology of Cambodia
Huifeng Yue - Institute of Technology of Cambodia
Guangling Bian - Institute of Technology of Cambodia
Ling Song - Institute of Technology of Cambodia
Publication Details: Tetrahedron, Vol.70(6), pp.1289-1297
Publisher: Elsevier
Number of pages: 9
Identifiers: 9944898108331
Academic Unit: King Abdullah University of Science & Technology
Language: English
Resource Type: Journal article