ABSTRACT

To facilitate the optimization of chemical processes, the most important and effective approach is the mechanism-guided process development (MPD). Methods that are frequently used to investigate the reaction mechanism include (but are not limited to) identication of intermediates and products (the desired product, by-products, and side products), the effect of catalysts or isotopes, stereochemicals and kinetic evidence, and the effect of solvents. Usually, the combination of two or three approaches will provide a sufcient reaction information if one method does not work well. Practically, a reaction mechanism can be hypothesized based on, in most cases, limited information of intermediates and side products. The process optimization would be conveniently guided by the hypothesized reaction mechanism.