Precise control of selectivity in iridium catalyzed asymmetric hydrogenation
||Precise control of selectivity in iridium catalyzed asymmetric hydrogenation|
||SNIC Small Compute|
||Haibo Wu <firstname.lastname@example.org>|
||2020-09-15 – 2021-10-01|
We have developed an efficient kinetic resolution protocol for a variety of allylic alcohols via Ir-N,P-catalyzed asymmetric hydrogenation. The protocol was derived from our previously reported asymmetric hydrogenation/DKR method. Remarkably, a simple switch between the two strategies is enabled by modification of the reaction additives (acidic to basic). High selectivity factors were observed with this methodology. To investigate the origin of selectivity, we would like to use density functional theory (DFT) studies to investigate if the outcome can be correlated to the previously developed quadrant selectivity model.