Continuous flow synthesis of a pharmaceutical intermediate: a computational fluid dynamics approach.

ABSTRACT: Continuous flow chemistry has the potential to greatly improve efficiency in the synthesis of active pharmaceutical ingredients (APIs); however, the optimization of these processes can be complicated by a large number of variables affecting reaction success. In this work, a screening design of experiments was used to compare computational fluid dynamics (CFD) simulations with experimental results. CFD simulations and experimental results both identified the reactor residence time and reactor temperature as the most significant factors affecting product yield for this reaction within the studied design space. A point-to-point comparison of the results showed absolute differences in product yield as low as 2.4% yield at low residence times and up to 19.1% yield at high residence times with s

SUBMITTER: Armstrong CT 

PROVIDER: S-EPMC7745113 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature