Best practice considerations for using the selectivity factor, s, as a metric for the efficiency of kinetic resolutions

Mark D. Greenhalgh; James E. Taylor; Andrew D. Smith

doi:10.1016/j.tet.2018.05.069

Best practice considerations for using the selectivity factor, s, as a metric for the efficiency of kinetic resolutions

Mark D. Greenhalgh, James E. Taylor, Andrew D. Smith

Department of Chemistry

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Abstract

The suitability of using the selectivity factor, s, as a metric for kinetic resolution reactions and the errors associated with its measurement are considered. Investigation of the analytical error associated with HPLC analysis of a kinetic resolution reveals that one of the largest potential sources of variation arises from the ability of a practitioner to integrate the peaks from a single analysis. The consequences of this error on the reliability of reported s values are discussed, and some general rules for good practice regarding the use and reporting of s as a metric are suggested.

Original language	English
Pages (from-to)	5554-5560
Number of pages	7
Journal	Tetrahedron
Volume	74
Issue number	38
Early online date	25 May 2018
DOIs	https://doi.org/10.1016/j.tet.2018.05.069
Publication status	Published - 20 Sept 2018

Keywords

Data analysis
Error calculations
HPLC analysis
Kinetic resolution
Selectivity factor

ASJC Scopus subject areas

Biochemistry
Drug Discovery
Organic Chemistry

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10.1016/j.tet.2018.05.069

Manuscript Revised.PDFAccepted author manuscript, 827 KBLicence: CC BY-NC-ND

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AB - The suitability of using the selectivity factor, s, as a metric for kinetic resolution reactions and the errors associated with its measurement are considered. Investigation of the analytical error associated with HPLC analysis of a kinetic resolution reveals that one of the largest potential sources of variation arises from the ability of a practitioner to integrate the peaks from a single analysis. The consequences of this error on the reliability of reported s values are discussed, and some general rules for good practice regarding the use and reporting of s as a metric are suggested.

KW - Data analysis

KW - Error calculations

KW - HPLC analysis

KW - Kinetic resolution

KW - Selectivity factor

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Best practice considerations for using the selectivity factor, s, as a metric for the efficiency of kinetic resolutions

Abstract

Keywords

ASJC Scopus subject areas

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