Application of statistical design of experiment to identify key factors in cross coupling reactions.

ABSTRACT: The statistical design of experiment (sDoE) enables efficient exploration of complex chemical space by screening multiple factors simultaneously, overcoming the limitations of the one-factor-at-a-time (OFAT) approaches. In this study, Plackett-Burman design (PBD) was applied to screen five factors: electronic effect and Tolman's cone angle of phosphine ligands (4), catalyst loading (2), bases (2), and solvent polarity (2) across twelve (12) C-C cross-coupling reactions for the Mizoroki-Heck, Suzuki-Miyaura, and Sonogashira-Hagihara reactions. While the importance of these factors is well established in cross-coupling chemistry, this study aimed to demonstrate how statistical PBD can compare and rank factors' effect via high-throughput screening (HTS) context. The outcome identified influen

SUBMITTER: Radzilani F 

PROVIDER: S-EPMC12663157 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature