60172-21-6

Basic information

• Product Name: 3,3-{(C₆H₅)3P}2-3,3-H₂-3,1,2-RuC₂B₉H₁₁
• CAS NO: 60172-21-6
• Molecular Weight: 760.076
• Mol File: 60172-21-6.mol

Chemical Properties

• CAS DataBase Reference: 3,3-{(C₆H₅)3P}2-3,3-H₂-3,1,2-RuC₂B₉H₁₁(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-{(C₆H₅)3P}2-3,3-H₂-3,1,2-RuC₂B₉H₁₁(60172-21-6)
• EPA Substance Registry System: 3,3-{(C₆H₅)3P}2-3,3-H₂-3,1,2-RuC₂B₉H₁₁(60172-21-6)

Safety Data

• Hazardous Substances Data: 60172-21-6(Hazardous Substances Data)

Upstream product

• 2065-58-9 hydrochloric acid diethyl ether 
• 55102-19-7 hydridochlorotris(triphenylphosphine)ruthenium(II) 

Relevant articles and documents

Studies with the ruthenacarborane complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H 11)]: Reactions with terminal alkynes

The syntheses of the complexes [Y][RuX(L)(PPh3)(η5-7,8-C2B 2H11)] (X = Cl, Y = K(18-crown-6), L = CO (1), PPh3 (2); X = I, Y = NEt4, L = CO (3)) are reported, and the structure of 3 has been established by an X-ray diffraction study. The anion adopts the piano stool structure with the ruthenium atom η5-coordinated on one side by a nido-7,8-C2B9H11 group and on the other by the CO, PPh3, and I ligands. Treatment of 1 with TlPF6 in THF (tetrahydrofuran) affords solutions of the labile species [Ru(THF)(CO)(PPh3)(η5-7,8-C2B 9H11)] (5), which readily react with a 3-fold excess of the monosubstituted alkynes RC≡CH (R = Ph, But, SiMe3). The product from PhC≡CH is [Ru(CO)(PPh3)(η2: η5-9-(E)-C(H)=C(H)Ph-7,8-C2B9H 10)] (8), the structure of which was determined by X-ray crystallography. The metal atom is η5-coordinated by the open face of the nido-7,8-C2B9 cage and also η2-coordinated by the C=C bond of the E-C(H)=C(H)Ph group, the latter being attached to a boron atom in an α-site with respect to the carbons of the CCBBB ring ligating the ruthenium. Reaction between 5 and ButC≡CH gives [Ru(CO)(PPh3)(η2: η5-9-(E)-C(H)=C(H)But-10-(E)-C(H)=C(H)-Bu t-7,8-C2B9H9)] (9). The η2 bonding mode of the 9-(E)-C(H)=C(H)But group to the metal is displaced in reactions with PMe3, CNBut, and CO, yielding the species [Ru(CO)(PPh3)(L)-(η5-9,10-{(E)-C(H)=C(H)Bu t}2-7,8-C2B9H9)] (L = PMe3 (10), CNBut (11), CO (12)). The alkyne Me3SiC=CH reacts with 5 in the presence of traces of moisture to give [Ru(CO)(PPh3)(η2: η5-9-C(H)=CH2-7,8-C2B9H 10)] (13), having a molecular structure closely related to that of 8, as confirmed by an X-ray diffraction study. Compound 13 reacts with CNBut to afford [Ru(CO)(PPh3)(CNBut)(η5-9-C(H)=CH 2-7,8-C2B9H10)] (14), studied by X-ray diffraction, and with PMe3 to give the ylide complex [Ru(CO)(PPh3)(σ: η5-9-C(H)(PMe3)CH2-7,8-C2B 9H10)] (15). The NMR data (1H, 13C{1H}, 11B{1H}) are reported and discussed.