137494-31-6

Basic information

• Product Name: {Ir(ditolpyH)H(PPh₃)2}SbF₆
• CAS NO: 137494-31-6
• Molecular Weight: 1211.89
• Mol File: 137494-31-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: {Ir(ditolpyH)H(PPh₃)2}SbF₆(CAS DataBase Reference)
• NIST Chemistry Reference: {Ir(ditolpyH)H(PPh₃)2}SbF₆(137494-31-6)
• EPA Substance Registry System: {Ir(ditolpyH)H(PPh₃)2}SbF₆(137494-31-6)

Safety Data

• Hazardous Substances Data: 137494-31-6(Hazardous Substances Data)

Upstream product

• 91410-27-4 {Ir(COD)(PPh₃)2}SbF₆ 
• 14435-88-2 2,6-di-p-tolylpyridine 

Downstream Products

• 137494-37-2 {Ir(C₆H₄CH₃(C₅H₃N)C₆H₃CH₃)H(H₂)(P(C₆H₅)3)2}⁽¹⁺⁾*SbF₆^(1-)={Ir(C₆H₄CH₃(C₅H₃N)C₆H₃CH₃)H(H₂)(P(C₆H₅)3)2}SbF₆ 
• 137466-48-9 {Ir((C₆H₄CH₃)2C₅H₃N)H(P(C₆H₅)3)2H}⁽¹⁺⁾*SbF₆^(1-)={Ir((C₆H₄CH₃)2C₅H₃N)H(P(C₆H₅)3)2H}SbF₆ 

Relevant articles and documents

Facile reversible metalation in an agostic complex and hydrogenolysis of a metal aryl complex via a dihydrogen complex

2,6-Diarylpyridines, 2,6-(p-C6H4R′)2C5H 3N (diarpyH2; R′ = H, diphpyH2; R′ = CH3, ditolpyH2) react with [(COD)Ir(PR3)2]X (1; PR3 = PPh3, P(p-C6H4CH3)3, P(p-C6H4F)3, PPh2Me, P-n-Bu3; X = SbF6-, BF4-) under H2 to give complexes with the stoichiometry [Ir(diarpyH)H(PR3)2]X (2a-f). The X-ray crystal structure for [Ir(diphpyH)H{P(p-C6H4CH3)3} 2]SbF6 (2b) shows that one phenyl group of the diphpyH is orthometalated and the other is bound to the Ir via an agostic C-H bond. The Ir?C distance of the Ir?H-C group is 2.69 ?, indicating a moderately strong agostic interaction. 2b crystallizes in the triclinic system, space group P1, with a = 11.072 (2) ?, b = 14.450 (2) ?, c = 17.227 (2) ?, α = 92.76 (1)°, β = 105.04 (1)°, γ = 95.00 (1)°, and Z = 2. The complexes 2a-f show dynamic behavior in solution, consistent with rapid oxidative addition of the agostic C-H bond together with reductive elimination of the aryl hydride. Ligands like CO or CH3CN displace the agostic C-H in 2a to give [Ir(diphpyH)HL(PPh3)2]SbF6 (L = CO, 3; CH3CN, 4). H2 reacts with 2d (PR3 = PPh2Me) and 2e (PR3 = P-n-Bu3) in the same way to give the dihydrogen complexes [Ir(diphpyH)H(η2-H2)(PR3) 2]SbF6 (5d,e). Reversible Ir-Ar hydrogenolysis occurs with H2 for 2a-c and 2f; an equilibrium between the dihydrogen complex 5 and the hydrogenolysis product [Ir-(diphpyH2)(H)2(PR3)2]SbF 6 (6) is observed at low temperatures. For a given diarpyH ligand, less basic phosphines favor the hydrogenolysis product. Longer treatment of 2a with H2 leads to complete displacement of the diarpyH2 ligand from the metal.