The pursuit of greener, safer, and more economical manufacturing routes to active pharmaceutical ingredients frequently requires “smarter” process development (reduced time and effort to optimize and execute syntheses). Enhancing process chemistry fundamentals with the tools and approaches of data science (for example, multi-dimensional chemical space analysis) provides a rich opportunity to leverage computational modeling and mechanistic understanding in new ways for reaction development. Case studies will be presented that illustrate these principles in the optimization of stereoselective nickel- and palladium-catalyzed cross-coupling reactions toward challenging poly-substituted and/or heterocyclic pharmaceutical scaffolds.

Next-generation process chemistry: Striving for better, faster, smarter development of stereoselective cross-coupling reactions toward pharmaceutical targets

ACS Spring 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.