Mechanistic aspects of asymmetric intramolecular Heck reaction involving dynamic kinetic resolution: flexible conformation of the cyclohexenylidene–benzene system

Add time:07/25/2019    Source:sciencedirect.com

An asymmetric intramolecular Heck reaction that involves the dynamic kinetic resolution of an atropisomer as the substrate furnished a product in high yield with high enantioselectivity. DFT calculations (Spartan'10, B3LYP/6-31G*) confirmed that the reaction proceeded via atropisomerization involving a conformational transformation (half-chair form/distorted-boat form) of the substrate.

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