Toward a More Holistic Framework for Solvent Selection

An interactive tool has been developed to facilitate solvent selection, allowing consideration of chemical functionality, physical properties, regulatory concerns, and safety/health/environmental (SHE) impact. Appropriate solvents can be identified prior to screening experiments, and less desirable...

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Bibliographic Details
Published in:Organic process research & development 2016-04, Vol.20 (4), p.760-773
Main Authors: Diorazio, Louis J, Hose, David R. J, Adlington, Neil K
Format: Article
Language:English
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Summary:An interactive tool has been developed to facilitate solvent selection, allowing consideration of chemical functionality, physical properties, regulatory concerns, and safety/health/environmental (SHE) impact. Appropriate solvents can be identified prior to screening experiments, and less desirable solvents can be replaced in established processes. Once a shortlist has been identified, the data can define experimental programs or else be exported to a molecular properties prediction tool to assess suitability through, e.g., solubility and partitioning.
ISSN:1083-6160
1520-586X
DOI:10.1021/acs.oprd.6b00015