Optimization of asymmetric dihydroxylation through optimal designed experiments
McNamara, C A, Woods, D C, Lewis, S M, Bradley, M and Frey, J G (2005) Optimization of asymmetric dihydroxylation through optimal designed experiments. Southampton, UK, University of Southampton, School of Mathematics, 17pp. (School of Mathematics Technical Report, (386) ).
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Description/Abstract
Many fields of chemistry are making increasing use of statistical design of experiment
methodologies to advance process optimization, to increase the understanding of
chemical processes and to provide an insight into mechanisms. In this paper a series
of experiments is reported which were designed to identify the optimal reaction
conditions for a Sharpless-type asymmetric dihydroxylation ligand that enhance
enantiomeric excess while achieving satisfactory levels of conversion. Seven factors
were investigated including choice of solvent, characterized by chemically relevant
descriptors, and choice of base. In order to accommodate the descriptors, computer-
generated optimal experiment designs were employed. Predictive statistical models
were built from the experimental data to gain an understanding of the reaction
mechanism as well as identifying optimal reaction conditions.
| Item Type: | Monograph (UNSPECIFIED) |
|---|---|
| Subjects: | Q Science > QD Chemistry Q Science > QA Mathematics H Social Sciences > HA Statistics |
| Divisions: | University Structure - Pre August 2011 > School of Mathematics University Structure - Pre August 2011 > Southampton Statistical Sciences Research Institute University Structure - Pre August 2011 > School of Mathematics > Statistics University Structure - Pre August 2011 > School of Chemistry |
| Item ID: | 15827 |
| Date Deposited: | 06 Jun 2005 |
| Last Modified: | 02 Mar 2012 13:25 |
| Contributors: | McNamara, C A (Author) Woods, D C (Author) Lewis, S M (Author) Bradley, M (Author) Frey, J G (Author) |
| Date: | 2005 |
| Status: | Published |
| Publisher: | University of Southampton, School of Mathematics |
| URI: | http://eprints.soton.ac.uk/id/eprint/15827 |
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