Data-Led Suzuki-Miyaura Reaction Optimization: Development of a Short Course for Postgraduate Synthetic Chemists

ACS Publications

A two-day workshop activity is described in which postgraduate students are introduced to (i) the theory and application of Design-of-Experiments (DOE) approaches and (ii) the implementation of affordable automation technologies and related data analysis of a system of catalytic interest. This work involved the design and delivery of a short lecture to introduce the theory of DOE followed by practical demonstrations of the application of automation technologies. Specifically, a fractional factorial design was used to interrogate the input space─base, solvent, temperature, time─of the Suzuki-Miyaura cross-coupling (SMCC) of para-bromoanisole and para-fluorophenylboronic acid using automated solid and liquid handling robots and online HPLC analysis. This was supplemented by a second lecture following data acquisition in which the collected HPLC data was analyzed. The workshop was delivered to a cohort of 15 students at the postgraduate level. Pleasingly, students demonstrated a high degree of engagement with this course structure and reported an increased theoretical understanding of DOE approaches to reaction optimization.

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Data-Led Suzuki-Miyaura Reaction Optimization: Development of a Short Course for Postgraduate Synthetic Chemists

Stuart C. Smith, Barnabas A. Franklin, Christopher S. Horbaczewskyj, James D. D’Souza Metcalf, Jacob J. Walder, Peter O’Brien, Ian J. S. Fairlamb

Department of Chemistry, University of York, York, YO10 5DD, UK

DOI: https://doi/10.1021/acs.jchemed.4c01194.

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