Crystal structure of the RuPhos ligand

Acta Crystallogr E Crystallogr Commun. 2021 Jan 26;77(Pt 2):171-174. doi: 10.1107/S2056989021000542. eCollection 2021 Feb 1.

Abstract

Palladium 2-di-cyclo-hexyl-phosphanyl-2',6'-diisopropoxybiphenyl (Pd-RuPhos) catalysts demonstrate high catalytic activity for Negishi cross-couplings of sterically hindered aryl halides, for Suzuki-Miyaura cross-couplings of tosyl-ated olefins, and for Buchwald-Hartwig amination of sterically hindered amines. The solid-state structure of the free RuPhos ligand, C30H43O2P, is reported herein for the first time. RuPhos crystallizes in a triclinic cell containing two independent mol-ecules of the phosphine without any lattice solvent. Pertinent bond metrics and comparisons to other phosphine ligands are presented. The structure of RuPhos will be of assistance in the use of this ligand in the design of cross-coupling catalysts.

Keywords: Buchwald ligand; RuPhos; cone angle; crystal structure; phosphine.

Grants and funding

This work was funded by Harvard University grant .