181782-43-4

Basic information

• Product Name: [Ru(H)₂(N₂)₂(PCy₃)₂]
• CAS NO: 181782-43-4
• Molecular Weight: 719.98
• Mol File: 181782-43-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [Ru(H)₂(N₂)₂(PCy₃)₂](CAS DataBase Reference)
• NIST Chemistry Reference: [Ru(H)₂(N₂)₂(PCy₃)₂](181782-43-4)
• EPA Substance Registry System: [Ru(H)₂(N₂)₂(PCy₃)₂](181782-43-4)

Safety Data

• Hazardous Substances Data: 181782-43-4(Hazardous Substances Data)

Upstream product

• 42516-72-3 (η6-1,3,5-cyclooctatriene)(η4-1,5-cyclooctadiene)ruthenium(0) 
• 7727-37-9 nitrogen 
• 1333-74-0 hydrogen 
• 2622-14-2 tricyclohexylphosphine 

Downstream Products

• 220628-24-0 Ru(H)Br(N₂)(P(C₆H₁₁)3)2 
• 210307-92-9 RuH₂Cl₂(tricyclohexylphosphane)2 
• 3835-64-1 2,2-dimethyl-1-phenylpropan-1-ol 
• 99501-03-8 (±)-1-(2,6-dimethoxyphenyl)ethanol 
• 13513-82-1 1-(2-methoxyphenyl)ethanol 

Relevant articles and documents

Mild sp2Carbon-Oxygen Bond Activation by an Isolable Ruthenium(II) Bis(dinitrogen) Complex: Experiment and Theory

The isolable ruthenium(II) bis(dinitrogen) complex [Ru(H)2(N2)2(PCy3)2] (1) reacts with aryl ethers (Ar-OR, R = Me and Ar) containing a ketone directing group to effect sp2C-O bond activation at temperatures below 40 °C. DFT studies support a low-energy Ru(II)/Ru(IV) pathway for C-O bond activation: oxidative addition of the C-O bond to Ru(II) occurs in an asynchronous manner with Ru-C bond formation preceding C-O bond breaking. Alternative pathways based on a Ru(0)/Ru(II) couple are competitive but less accessible due to the high energy of the Ru(0) precursors. Both experimentally and by DFT calculations, sp2C-H bond activation is shown to be more facile than sp2C-O bond activation. The kinetic preference for C-H bond activation over C-O activation is attributed to unfavorable approach of the C-O bond toward the metal in the selectivity determining step of the reaction pathway.