title: A model for the enantioselectivity of imine reactions catalyzed by BINOL-phosphoric acid catalysts.
abstract: BINOL-phosphoric acid catalysts have been used successfully in many reactions involving imines. In this paper, we present a model, based on DFT calculations, for describing the degree and sense of the enantioselectivity of these reactions that is able to predict the correct enantioselectivity for the reactions in more than 40 recent publications. We rationalize the different factors on which the enantioselectivity depends, focusing on the E- or Z-preference of the transition structures and the orientation of the catalyst with respect to the electrophile.
authors.affiliation: Facultad de Ciencias Químicas, Universidad de Salamanca, Plaza de los Caídos 1-5, Salamanca E37004, Spain. lsimon@usal.es
authors.forename: Luis
authors.initials: L
authors.lastname: Simón
authors.forename: Jonathan M
authors.initials: JM
authors.lastname: Goodman