Issue 6, 2023

Determination of enantiomeric excess and diastereomeric excess via optical methods. Application to α-methyl-β-hydroxy-carboxylic acids

Abstract

Characterization of chiral molecules in solution is paramount for measuring reaction success. However, techniques to distinguish between chiral molecules containing more than one stereocenter through the use of optical techniques remains a challenge. Herein, we report a technique using a series of circular dichroism spectra to train multivariate regression models that are capable of predicting the complete speciation of 3-hydroxy-2-methylbutanoic acid stereoisomers. From this, it is possible to rapidly and accurately determine the enantiomeric excess and diastereomeric excess of the solution without the need for chiral chromatography.

Graphical abstract: Determination of enantiomeric excess and diastereomeric excess via optical methods. Application to α-methyl-β-hydroxy-carboxylic acids

Supplementary files

Article information

Article type
Research Article
Submitted
11 Sep 2022
Accepted
16 Jän 2023
First published
25 Jän 2023

Org. Chem. Front., 2023,10, 1386-1392

Determination of enantiomeric excess and diastereomeric excess via optical methods. Application to α-methyl-β-hydroxy-carboxylic acids

S. R. Moor, J. R. Howard, B. T. Herrera, M. S. McVeigh, F. Marini, A. T. Keatinge-Clay and E. V. Anslyn, Org. Chem. Front., 2023, 10, 1386 DOI: 10.1039/D2QO01444K

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