193759-05-6

Basic information

• Product Name: C5Me5Ru(PPh3)(η(3)-PhCHCHC=CPhCCPh)
• CAS NO: 193759-05-6
• Molecular Weight: 803.989
• Mol File: 193759-05-6.mol

Chemical Properties

• CAS DataBase Reference: C5Me5Ru(PPh3)(η(3)-PhCHCHC=CPhCCPh)(CAS DataBase Reference)
• NIST Chemistry Reference: C5Me5Ru(PPh3)(η(3)-PhCHCHC=CPhCCPh)(193759-05-6)
• EPA Substance Registry System: C5Me5Ru(PPh3)(η(3)-PhCHCHC=CPhCCPh)(193759-05-6)

Safety Data

• Hazardous Substances Data: 193759-05-6(Hazardous Substances Data)

Upstream product

• 182556-90-7 (η(5)-C5Me5)RuCl(PPh3)(=C=CHPh) 
• 536-74-3 phenylacetylene 

Downstream Products

• 389136-39-4 C₅(CH₃)5RuP(C₆H₅)3C(CHCHC₆H₅)CC₆H₅C(CC₆H₅C(CN)2C(CN)CN) 

Relevant articles and documents

Ruthenium-acetylide-mediated catalytic dimerization of RC≡CH (R = Ph, CO2Me) and the formation of the new ruthenium η3-butadienyl complex C5Me5Ru(PPh3)[η 3-PhCHCHC=C(Ph)C≡CCPh]

The in-situ-generated ruthenium-acetylide species C5Me5Ru(PPh3)C≡CPh (1) was found to catalyze the dimerization of RC≡CH to give predominantly the head-to-head dimers trans-RCH=CHC≡CR (R = Ph (3), TON = 607 h-1; R = CO2Me (4), TON = 975 h-1). A new ruthenium η3-butadienyl complex C5Me5Ru(PPh3)(η 3-PhCHCHC=C(Ph)C≡CPh) (5) was isolated at the end of the catalytic dimerization of PhC≡CH (81% based on Ru). The structure of the 1.5 benzene-solvated complex 5·1.5C6H6 was established by X-ray crystallography. Complex 5 was independently prepared from the stoichiometric reaction of C5Me5Ru(PPh3)-(Cl)=C=CHPh (2) with the dimer 3 in the presence of NEt3. The formation of an intermediate η2-alkyne complex C5Me5Ru(PPh3)(η 2-PhCH=CHC=CPh)(C=CPh) (6) was observed during the reaction.