Rapid identification and optimization of reaction conditions is a critical component of route scouting in process research and development (PR&D).
In this instance, we utilized the high-throughput capability of a Radley’s Mya4 parallel reactor station in conjunction with Design of Experiments (DoE) software to conduct a screen of a Buchwald-Hartwig amination reaction.
An initial screen identified “hit” conditions giving 90% conversion to desired product. Harnessing the power of DoE, we were able to further tune the reaction into a robust transformation giving 98% conversion to product and a ten-fold reduction in catalyst loading.
Furthermore, 1,4-dioxane, a solvent of concern from an environmental, health and safety perspective was successfully replaced with a greener and more sustainable alternative tBuOH.