157072-60-1

Basic information

• Product Name: [RuHCl(CO)(PPh₃)₃]
• CAS NO: 157072-60-1
• Molecular Weight: 952.414
• Mol File: 157072-60-1.mol
• Article Data: 24

Chemical Properties

• CAS DataBase Reference: [RuHCl(CO)(PPh₃)₃](CAS DataBase Reference)
• NIST Chemistry Reference: [RuHCl(CO)(PPh₃)₃](157072-60-1)
• EPA Substance Registry System: [RuHCl(CO)(PPh₃)₃](157072-60-1)

Safety Data

• Hazardous Substances Data: 157072-60-1(Hazardous Substances Data)

Upstream product

• 15529-49-4 tris(triphenylphosphine)ruthenium(II) chloride 
• 1455-13-6 deuteromethanol 
• 3130-29-8 potassium 4-(tert-butyl)phenolate 
• 64-17-5 ethanol 
• 63767-78-2 ruthenium trichloride 
• 50-00-0 formaldehyd 
• 603-35-0 triphenylphosphine 
• 776-76-1 methyldiphenylsilane 
• 83111-26-6 Ru(o-C₆H₄PPh₂)(H)(CO)(PPh₃)2 
• 109-86-4 2-methoxy-ethanol 

Downstream Products

• 124071-31-4 RuHCl(CO)NHEt₂(PPh₃)2 
• 163365-24-0 RuCl(CO)[P(C₆H₅)3]2SO₂CHCHCH₂P(C₆H₅)3⁽¹⁺⁾ 
• 155829-46-2 RuCl(CO)(glycinate)(PPh₃)2 
• 107500-43-6 [RuH(CO)(P(C₆H₅)3)2(CH₃C₅H₄N)2]⁽¹⁺⁾*[B(C₆H₅)4]^(1-)=[RuH(CO)(P(C₆H₅)3)2(CH₃C₅H₄N)2][B(C₆H₅)4] 
• 131931-06-1 RuH(CO)(C₅H₄NCN)2(P(C₆H₅)3)2⁽¹⁺⁾*B(C₆H₅)4^(1-)=(RuH(CO)(C₅H₄NCN)2(P(C₆H₅)3)2)B(C₆H₅)4 
• 107478-71-7 [RuH(CO)(P(C₆H₅)3)2(C₅H₅N)2]⁽¹⁺⁾*[B(C₆H₅)4]^(1-)=[RuH(CO)(P(C₆H₅)3)2(C₅H₅N)2][B(C₆H₅)4] 
• 125615-96-5 Ru(CO)(PPh₃)3H(CCSiMe₃)*1/2CH₂Cl₂ 
• 125615-95-4 Ru(CO)(PPh₃)3H(CCPh) 
• 131931-07-2 RuH(CO)(C₅H₄NCN)2(P(C₆H₅)3)2⁽¹⁺⁾*ClO₄^(1-)=(RuH(CO)(C₅H₄NCN)2(P(C₆H₅)3)2)ClO₄ 
• 192656-09-0 RuCl(CO)(CHCHC(CH₂)5OH)(P(C₆H₅)3)2 
• 175353-31-8 Ru(-CH=CH-SiEt₃)Cl(CO)(PPh₃)2 
• 192656-07-8 RuCl(CO)(CHCHC(CH₃)2OH)(P(C₆H₅)3)2 
• 174584-85-1 [RuCl(CO)(P(C₆H₅)3)2(NHC(C₆H₅)NC(C₆H₅)O)] 
• 107883-46-5 carbonylchlorohydrido(4-methylpyridine)-bis(triphenylphosphine)ruthenium(II) 

Relevant articles and documents

Urinary tract infection fighting potential of Newly synthesized ruthenium carbonyl complex of N-dehydroacetic acid-N′-o-vanillin-ethylenediamine

In recent years, there has been a growing fascination towards the development of new antimicrobial agents from various sources to combat microbial resistance. Klebsiella pneumonia and E. coli are the main urinary tract infection (UTI) causing agents. Herein, we report the synthesis and characterization of a novel carbonyl complex of Ru(II) that has been found a good antimicrobial agent against the selected microbes. Hence, may be suggested as potent agent against UTI. The compound on characterization was found octahedral in structure on the basis of comparative DFT-experimental characterization. Molecular specification under B3LYP functional, LANL2DZ basis set for Ru atom and 6-31?g(d,p) for all other atoms were employed. Electron density plots and geometrical optimization were the main theoretical aspects that were invoked. Elemental analysis, mass spectrometry, NMR, FT-IR, UV–Vis and cyclic voltammetry were the physio-chemical techniques at both the experimental and theoretical fronts that helped to establish the proposed structure. From the overall study, it may be remarked that both observed and computed outcomes have been found in good agreement with each other.

PREPARATION OF OCTAHEDRAL, HYDRIDO-AQUO-RUTHENIUM(II) COMPLEXES, AND STRUCTURAL CHARACTERISATION OF HYDRIDOAQUODICARBONYLBIS(TRIPHENYLPHOSPHINE)RUTHENIUM(II) TETRAFLUOROBORATE

Reaction of RuH2(CO)(PPh3)3 with tetrafluoroboric acid/water gives BF4.Carbonylation of the latter compound yields BF.In the Ir spectra of these compounds, splitting of the asymmetric BF4- stretching band indicated the possibility of a coordinated tetrafluoroborato ligand, but an X-ray study of BF4 shows that the BF4- is not coordinated to the metal, but is involved in a network of hydrogen bonds with the coordinated water molecule and the ethanol molecule of crystallisation.The crystal are monoclinic, space group P21 with Z = 2 in a unit cell of dimensions a = 9.3959(4), b = 22.695(1), c = 9.7878(3) Angstroem, β - 109.12(1) deg.The observed and calculated densities are 1.39 and 1.404 g cm-3 respectively.The structure was solved by conventional methods and refined using the full-matrix least-squares equations to final residuals R and Rw of 0.048 and 0.064 respectively.The ruthenium atom is in a distorted octahedral coordination geometry.The Ru-CO distances (1.83 and 1.97(2) Angstroem) differ significantly, with the longer bond situated trans to the hydrido ligand.The Ru-P bonds (2.329 and 2.416(5) Angstroem) are also significantly different, and the P-Ru-P angle is markedly non-linear at 165.1(2) deg.This asymmetry can be attributed to crystal packing forces.

Mechanistic study of ruthenium-catalyzed hydrosilation of 1- (Trimethylsilyl)-1-buten-3-yne

Catalytic hydrosilation of 1-(trimethylsilyl)-1-buten-3-yne (1) with three kinds of hydrosilanes (HSiMePh2, HSiMe2Ph, and HSiEt3) in CDCl3 at 30 °C in the presence of a catalytic amount of RuHCl(CO)(PPh3)3 (2) gave five types of reaction products: (1E,3E)-CH(SiR3)=CHCH=CHSiMe3 (3), R3SiCH2-CH=CHCH2SiMe3 (4), R3SiCH=C=CHCH2SiMe3 (5), (1Z,3E)- CH(SiR3)=CHCH=CHSiMe3 (6), and R3SiC≡CCH=CHSiMe3 (7). Detailed investigations on the stoichiometric reactions of intermediate ruthenium species provided definitive evidence for the catalytic mechanism comprised of two catalytic cycles, the Chalk-Harrod cycle A and the modified Chalk-Harrod cycle C, and their interconnecting processes B and D. Product 3 is formed by the insertion of 1 into the Ru-H bond of 2 followed by the reaction of the resulting terminal dienyl complex Ru(CH=CHCH=CHSiMe3)Cl(CO)(PPh3)2 (8) with hydrosilane. The latter process regenerates 2 and the sequence of reactions proceeds catalytically (cycle A). The reaction of 8 with hydrosilane is accompanied by a side reaction giving Ru(SiR3)Cl(CO)(PPh3)2 (9) and CH2=CHCH=CHSiMe3 (10), and the latter is further converted to 4 by hydrosilation (process B). Silyl complex 9 thus generated in the system is the key intermediate for catalytic cycle C. Thus the insertion of 1 into the Ru-SiR3 bond of 9 via a formal trans-addition process forms an internal dienylruthenium complex Ru[C(CHSiR3)CH=CHSiMe3]Cl(CO)-(PPh3)2 (11), which reacts with hydrosilane to give 5 and 6 and to regenerate 9. A part of 11 also undergoes β-hydrogen elimination to give a dehydrogenative silation product 8 and hydride complex 2. Complex 2 thus formed resumes catalytic cycle A (process D). The catalytic intermediates 8, 9, and 11 were identified by NMR spectroscopy and/or elemental analysis. Factors controlling the catalytic cycles are discussed on the basis of the experimental observations.

Preparation and Reactivity of Mixed-Ligands Hydride Complexes [RuHCl(CO)(PPh3)2{P(OR)3}]

Mixed-ligands hydride complexes [RuHCl(CO)(PPh3)2{P(OR)3}] (2) (R = Me, Et) were prepared by allowing [RuHCl(CO)(PPh3)3] (1) to react with an excess of phosphites P(OR)3 in refluxing benzene. Treatment of hydrides 2 first with triflic acid and next with an excess of hydrazine afforded hydrazine complexes [RuCl(CO)(κ1-NH2NHR1)(PPh3)2{P(OR)3}]BPh4 (3, 4) (R1 = H, CH3). Diethylcyanamide derivatives [RuCl(CO)(N≡CNEt2)(PPh3)2{P(OR)3}]BPh4 (5) were also prepared by reacting 2 first with HOTf and then with N≡CNEt2. The complexes were characterized spectroscopically and by X-ray crystal structure determination of [RuHCl(CO)(PPh3)2{P(OEt)3}] (2b).

Palladium-Catalyzed Direct Intramolecular C-N Bond Formation: Access to Multisubstituted Dihydropyrroles

A palladium-catalyzed intramolecular amination of alkenes with retention of olefin functionalization was achieved under mild reaction conditions. In the presence of palladium catalyst, the tosyl-protected amine can directly couple with a double bond to provide versatile dihydropyrrole derivatives in moderate to excellent yields.