Precise control of selectivity in iridium catalyzed asymmetric hydrogenation
Title: Precise control of selectivity in iridium catalyzed asymmetric hydrogenation
SNIC Project: SNIC 2020/13-80
Project Type: SNIC Small Compute
Principal Investigator: Haibo Wu <haibo.wu@su.se>
Affiliation: Stockholms universitet
Duration: 2020-09-15 – 2021-10-01
Classification: 10405
Homepage: http://www.organ.su.se/pga/pga_group.html
Keywords:

Abstract

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.