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Crystal structure of the RuPhos ligand.

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.

SUBMITTER: Carsch KM

PROVIDER: S-EPMC7869533 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of the RuPhos ligand.

Carsch Kurtis M KM Ho William W Lui Kai Hin KH Valtierra Gregory G Dogutan Dilek K DK Nocera Daniel G DG Zheng Shao-Liang SL

Acta crystallographica. Section E, Crystallographic communications 20210126 Pt 2

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 t ...[more]

PMID: 33614148

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