title: Pyranoside phosphite-oxazoline ligands for the highly versatile and enantioselective ir-catalyzed hydrogenation of minimally functionalized olefins. A combined theoretical and experimental study.
abstract: A modular set of phosphite-oxazoline (P,N) ligands has been applied to the title reaction. Excellent ligands have been identified for a range of substrates, including previously challenging terminally disubstituted olefins, where we now have reached enantioselectivities of 99% for a range of substrates. The selectivity is best for minimally functionalized substrates with at least a moderate size difference between geminal groups. A DFT study has allowed identification of the preferred pathway. Computational prediction of enantioselectivities gave very good accuracy.
authors.affiliation: Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Campus Sescelades, C/Marcel·lí Domingo, s/n. 43007 Tarragona, Spain.
authors.forename: Javier
authors.initials: J
authors.lastname: Mazuela
authors.forename: Per-Ola
authors.initials: PO
authors.lastname: Norrby
authors.forename: Pher G
authors.initials: PG
authors.lastname: Andersson
authors.forename: Oscar
authors.initials: O
authors.lastname: Pàmies
authors.forename: Montserrat
authors.initials: M
authors.lastname: Diéguez