863973-15-3

Basic information

• Product Name: [((((CH₃)3C)2PCH₂Si(CH₃)2)2N)Ru(C₆H₅CN)CH₃]
• CAS NO: 863973-15-3
• Molecular Weight: 668.008
• Mol File: 863973-15-3.mol

Chemical Properties

• CAS DataBase Reference: [((((CH₃)3C)2PCH₂Si(CH₃)2)2N)Ru(C₆H₅CN)CH₃](CAS DataBase Reference)
• NIST Chemistry Reference: [((((CH₃)3C)2PCH₂Si(CH₃)2)2N)Ru(C₆H₅CN)CH₃](863973-15-3)
• EPA Substance Registry System: [((((CH₃)3C)2PCH₂Si(CH₃)2)2N)Ru(C₆H₅CN)CH₃](863973-15-3)

Safety Data

• Hazardous Substances Data: 863973-15-3(Hazardous Substances Data)

Upstream product

• 100-47-0 benzonitrile 

Downstream Products

• 863973-16-4 [(((CH₃)3C)2PCH₂Si(CH₃)2NSi(CH₃)2CH₂P(C(CH₃)3)(C(CH₃)2CH₂))Ru(NCC₆H₅)] 

Relevant articles and documents

[(tBu2PCH2SiMe2) 2N]RuCH3: The origin of extremely facile, double H-C(sp3) activation generating a "hydrido-carbene" complex

The four-coordinate compound [(tBu2PCH2SiMe2)2N]RuCH3 undergoes rapid double H-C(sp3) activation at -78 °C to generate a "hydrido-carbene" complex. DFT calculations suggest that the origin of the low barrier to methane elimination is an α-agostic interaction in the low-lying singlet state of the highly unsaturated (PNP)RuMe. The hydrido-carbene complex can be viewed as a "masked" resting state of the four-coordinate cyclometalated alkyl complex, [(tBu2PCH2SiMe2)N(Me2SiCH2P(tBu)(C(CH3)2CH2)]Ru, where hydride migration from metal to carbon occurs before any subsequent reactivity. Copyright