Toward a More Holistic Framework for Solvent Selection

This published article describes the development of a comprehensive solvent selection tool and framework at AstraZeneca, as well as the significant changes and improvements over original solvent selection efforts at the company. Through consideration of chemical functionality, physical properties, regulatory concerns, and safety/health/environmental (SHE) impact, the new and improved tool allows the end user to identify alternative options prior to screening experiments, and less desirable solvents can be replaced in established processes. In addition, it allows the user to create a shortlist of solvent options to help define experimental programs or that can be exported to a molecular properties prediction tool.

Full citation: Diorazio, L. J.; Hose, D. R. J.; Adlington, N. K. Toward a More Holistic Framework for Solvent Selection. Org. Process Res. Dev. 2016, 20 (4), 760–773. https://doi.org/10.1021/acs.oprd.6b00015.