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

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 -bromoanisole and -fluorophenylboronic acid using automated solid and liquid handling robots and online HPLC analysis.

Pd-Catalyzed Cross-Couplings: On the Importance of the Catalyst Quantity Descriptors, mol % and ppm.

This Review examines parts per million (ppm) palladium concentrations in catalytic cross-coupling reactions and their relationship with mole percentage (mol %). Most studies in catalytic cross-coupling chemistry have historically focused on the concentration ratio between (pre)catalyst and the limiting reagent (substrate), expressed as mol %. Several recent papers have outlined the use of "ppm level" palladium as an alternative means of describing catalytic cross-coupling reaction systems.