抄録
The chiral BINOL-phosphoric acid is a well-designed asymmetric organocatalyst because it features the bifunctionality of the Brønsted acid (proton)/base (phosphoryl oxygen) and the conformational rigidity of the 3,3-substituents of the BINOL unit controlling the stereoselectivity through the hydrogen bonding network. Though the bifunctional activation has emerged as an important paradigm of chiral phosphoric acid catalyzed asymmetric reactions, it has remained elusive in most cases. Recently, we revealed the reaction mechanism as well as the stereocontrol mechanism by our computational two-step approach using (1) simplified chemical model and (2) realistic chemical model.
