189351-71-1

Basic information

• Product Name: [Ru₃(CO)₉(μ-H){μ₃-η²-(⊥)-C≡C C₆H₄-4-CH₃}]
• Synonyms: [Ru₃(CO)₉(μ-H){μ₃-η²-(⊥)-C≡C C₆H₄-4-CH₃}]
• CAS NO: 189351-71-1
• Molecular Weight: 671.466
• Mol File: 189351-71-1.mol

Chemical Properties

• CAS DataBase Reference: [Ru₃(CO)₉(μ-H){μ₃-η²-(⊥)-C≡C C₆H₄-4-CH₃}](CAS DataBase Reference)
• NIST Chemistry Reference: [Ru₃(CO)₉(μ-H){μ₃-η²-(⊥)-C≡C C₆H₄-4-CH₃}](189351-71-1)
• EPA Substance Registry System: [Ru₃(CO)₉(μ-H){μ₃-η²-(⊥)-C≡C C₆H₄-4-CH₃}](189351-71-1)

Safety Data

• Hazardous Substances Data: 189351-71-1(Hazardous Substances Data)

Upstream product

• 766-97-2 4-n-methylphenylacetylene 

Relevant articles and documents

C-H and C-C bond activations of terminal alkynes in the presence of a butterfly-shaped heteronuclear Ru3Au cluster

The reaction of compound [Ru3(CO)10(μ-Cl)(μ- AuPPh3)] (1) with terminal alkynes HCCR; (R = C6H 4-4-CH3, C6H3-2,5-(CH 3)2, C6H2-2,4,5-(CH 3)3, C(CH3) = CH2, Si(CH 3)3), under very mild conditions yielded isostructural compounds [Ru3(CO)9(μ-AuPPh3) (μ3-η2 - CCR)] (R = C6H 4-4-CH3 (2), C6H3-2,5-(CH 3)2 (3), C6H2-2,4,5-(CH 3)3 (4), C(CH3)CH2 (5), Si(CH 3)3) (6)) respectively; where the alkynes suffer oxidative additions to the metallic fragment coordinating as acetylide groups in a μ3-η2-perpendicular fashion by breaking the C (sp)-H bond of the alkynes. The AuPPh3 fragment remains without change in all compounds. All of these clusters have been characterized in solution by i.r. and n.m.r. spectroscopy and their structures have been established by single crystal X-ray diffraction studies.

A study of acetylene and acetylide carbonyl and diphosphine substituted ruthenium trinuclear clusters: Synthesis and structural characterization

The synthesis and structural characterization of the acetylene and acetylide carbonyl ruthenium clusters: [Ru3(CO)9(μ-CO) {μ3-η2-(//)-HCCR}] [R = C6H 4-4-CH3 (1a), C6H3-2,5-(CH 3)2 (1b), C6H2-2,4,5-(CH 3)3 (1c), C6H4-4-tBu (1d), C6H4-4-COH (1e), C6H4-4- NH2 (1f)] and [Ru3(CO)9(μ-H) {μ3-η2-(⊥)-CCR}] [R = C6H 4-4-CH3 (2a), C6H3-2,5-(CH 3)2 (2b), C6H2-2,4,5-(CH 3)3 (2c), C6H4-4-tBu (2d), C6H4-4-COH (2e), C6H4-4- NH2 (2f)] are described. Compounds 1a-f were obtained under very mild conditions from the known [Ru3(CO)10(NCMe)2] activated cluster in the presence of the monosubstituted phenylacetylenes; in all cases, the alkynes are coordinated to the metallic fragment as acetylene groups in a μ3-η2 parallel fashion without breaking the C(sp)-H bond of the triple bond. In solution compounds of the 1 series slowly transformed to the acetylide derivatives (2), where the acetylene group undergoes an oxidative addition and a rearrangement of the -CC- coordinated fragment to a μ3-η2 perpendicular coordination mode of the C-C axis by breaking the C(sp)-H bond to give a hydride ligand in each case. The diphosphines substituted derivatives [Ru3(CO)7(μ-diphosphine)(μ-H){μ3- η2-(⊥)-CCR}] [diphosphine = dppe; R = C6H 4-4-CH3 (3a), C6H3-2,5-(CH 3)2 (3b), C6H2-2,4,5-(CH 3)3 (3c) and diphosphine = dfppe; R = C6H 4-4-CH3 (4a), C6H3-2,5-(CH 3)2 (4b), C6H2-2,4,5-(CH 3)3 (4c)] were obtained from the reaction of the [Ru 3(CO)10(diphosphine)] cluster (diphosphine = dppe or dfppe) with the terminal alkyne, respectively. All compounds have been characterized in solution by infrared spectroscopy and multinuclear magnetic resonance. The solid state structures of the acetylide compounds 2b-d and 3b have been established by single crystal X-ray diffraction studies; the -CC- fragment was observed in a μ3-η2 perpendicular coordination mode.