Optimization of the Mizoroki-Heck reaction using design of experiment (DoE)

The influence of the variables concentration, temperature, time, and amounts of base and palladium on the yield of a Heck reaction was investigated using statistical methods (DoE) in a systematic sequential study. This revealed that temperature, concentration, and amount of palladium were the most important variables with a factor interaction between temperature and concentration. Through this approach, the yield of the Heck reaction was improved from 57% to 98% (89% isolated) with concomitant reduction of palladium loading from 3% to 0.5%.