Reaction optimization of a Suzuki‐Miyaura cross‐coupling using design of experiments

Abstract

The combination of lab automation and design of experiments for the execution of screening experiments increases productivity and reduces error-prone manual work. A self-developed software tool allows for creating fractional-factorial experimental design (FFED). Application of FFED on the screening of a Suzuki-Miyaura cross-coupling leads to a 93 % reduced design compared to full-factorial design. The resulting regression model qualitatively shows the positive effect of educt concentrations, time, and temperature and reveals the decrease in conversion at high base concentrations.

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Keywords

Design of experiments, Lab automation, Reaction optimization, Suzuki-Miyaura reaction

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