252008-09-6

Basic information

• Product Name: [Pd((η(2)-CH2CHSiMe2)2O)P(C6H5)3]
• Synonyms: [Pd((η(2)-CH2CHSiMe2)2O)P(C6H5)3]
• CAS NO: 252008-09-6
• Molecular Weight: 555.112
• Mol File: 252008-09-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [Pd((η(2)-CH2CHSiMe2)2O)P(C6H5)3](CAS DataBase Reference)
• NIST Chemistry Reference: [Pd((η(2)-CH2CHSiMe2)2O)P(C6H5)3](252008-09-6)
• EPA Substance Registry System: [Pd((η(2)-CH2CHSiMe2)2O)P(C6H5)3](252008-09-6)

Safety Data

• Hazardous Substances Data: 252008-09-6(Hazardous Substances Data)

Upstream product

• 13965-03-2 bis-triphenylphosphine-palladium(II) chloride 
• 2627-95-4 tetramethyldivinyldisiloxane 
• 31989-57-8 bis(triphenylphosphine)palladium⁽⁰⁾ 
• 210691-15-9 (C6H5)3PPd(η(2),η(2)-C7H12) 

Relevant articles and documents

A Combined Experimental/Computational Study of the Mechanism of a Palladium-Catalyzed Bora-Negishi Reaction

Experimental and computational efforts are reported which illuminate the mechanism of a novel boron version of the widespread Negishi coupling reaction that offers a new protocol for the formation of aryl/acyl C?B bonds using a bulky boryl fragment. The role of nucleophilic borylzinc reagents in the reduction of the PdII pre-catalysts to Pd0 active species has been demonstrated. The non-innocent behavior of the PPh3 ligands of the [Pd(PPh3)2Cl2] pre-catalyst under activation conditions has been probed both experimentally and computationally, revealing the formation of a trimetallic Pd species bearing bridging phosphide (PPh2?) ligands. Our studies also reveal the monoligated formulation of the Pd0 active species, which led us to synthesize related (η3-indenyl)Pd-monophosphine catalysts which show improved catalytic performances under mild conditions. A complete mechanistic proposal to aid future catalyst developments is provided.