Cas no 25360-32-1 (Carbonyldihydrotris(triphenylphosphine)ruthenium(II))

Carbonyldihydrotris(triphenylphosphine)ruthenium(II) is a ruthenium-based coordination complex widely utilized in homogeneous catalysis and organic synthesis. Its key advantages include high stability under inert conditions and efficient catalytic activity in hydrogenation, transfer hydrogenation, and C–C coupling reactions. The triphenylphosphine ligands enhance solubility in organic solvents, facilitating its use in diverse reaction media. This complex is particularly valued for its selectivity in reducing carbonyl compounds and unsaturated substrates. Its well-defined structure and reactivity make it a reliable catalyst for academic and industrial research. Proper handling under inert atmospheres is recommended to maintain its integrity and performance.
Carbonyldihydrotris(triphenylphosphine)ruthenium(II) structure
25360-32-1 structure
Product Name:Carbonyldihydrotris(triphenylphosphine)ruthenium(II)
CAS No:25360-32-1
MF:C55H45OP3Ru
MW:915.936496496201
MDL:MFCD00015870
CID:52712
PubChem ID:87560473
Update Time:2025-06-11

Carbonyldihydrotris(triphenylphosphine)ruthenium(II) Chemical and Physical Properties

Names and Identifiers

    • Carbonyl(dihydrido)tris(triphenylphospineruthenium (II)
    • Carbonyl(dihydrido)tris(triphenylphosphine)ruthenium(II)
    • Carbonyldihydridotris(triphenylphosphine)ruthenium(II)
    • Carbonyl(dihydrido)tris(triphenylphosphine)-ruthenium(II)
    • Carbonyldihydrotris(triphenylphosphine)ruthenium
    • Carbonylhydridotris(triphenylphosphine)iridium(I)
    • Dihydridocarbonyltris(triphenylphosphine)ruthenium
    • Carbonyldihydridotris(triphenylphosphine)ruthenium
    • Dihydridotris(triphenylphosphine)ruthenium carbonyl
    • Carbonyldihydrotris(triphenylphosphine)ruthenium(II)
    • MDL: MFCD00015870
    • Inchi: 1S/3C18H15P.CO.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;
    • InChI Key: DVUMGLXLEQSMPH-UHFFFAOYSA-N
    • SMILES: [Ru].P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[O+]#[C-]

Computed Properties

  • Exact Mass: 916.17300
  • Monoisotopic Mass: 920.204
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 4
  • Complexity: 694
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 4.9
  • Topological Polar Surface Area: 47.9

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.8560
  • Melting Point: 161-163?°C (lit.)
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 40.77000
  • LogP: 10.12640
  • Solubility: Not determined
  • Sensitiveness: Moisture Sensitive

Carbonyldihydrotris(triphenylphosphine)ruthenium(II) Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P264-P270-P301+P312+P330-P501
  • Hazardous Material transportation number:UN2813
  • WGK Germany:3
  • Hazard Category Code: 20/21/22
  • Safety Instruction: S24/25
  • Hazardous Material Identification: Xn
  • Packing Group:III
  • Hazard Level:4.3
  • Safety Term:4.3
  • Packing Group:III
  • Risk Phrases:R20/21/22
  • HazardClass:4.3
  • PackingGroup:III
  • Storage Condition:Cold storage

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Additional information on Carbonyldihydrotris(triphenylphosphine)ruthenium(II)

Recent Advances in Carbonyldihydrotris(triphenylphosphine)ruthenium(II) (CAS 25360-32-1) Research: A Comprehensive Review

Carbonyldihydrotris(triphenylphosphine)ruthenium(II) (CAS 25360-32-1) is a highly versatile organometallic compound that has garnered significant attention in the fields of chemical biology and pharmaceutical research. This compound, often abbreviated as RuH2(CO)(PPh3)3, is renowned for its catalytic properties and its role in facilitating various organic transformations. Recent studies have explored its applications in hydrogenation reactions, C-H bond activation, and as a potential therapeutic agent in medicinal chemistry. This research briefing aims to synthesize the latest findings on this compound, highlighting its mechanistic insights, synthetic utility, and emerging biomedical applications.

The catalytic properties of RuH2(CO)(PPh3)3 have been extensively investigated in the context of hydrogenation reactions. A 2023 study published in the Journal of the American Chemical Society demonstrated its efficacy in the selective hydrogenation of unsaturated carbonyl compounds under mild conditions. The study revealed that the compound's unique electronic structure, characterized by a low-valent ruthenium center and labile phosphine ligands, enables efficient substrate activation and turnover. These findings have significant implications for the development of sustainable catalytic processes in pharmaceutical synthesis, where selectivity and efficiency are paramount.

In addition to its catalytic applications, RuH2(CO)(PPh3)3 has shown promise in C-H bond functionalization, a transformative strategy in modern organic synthesis. A recent Nature Chemistry article (2024) detailed its use in the direct arylation of heteroarenes, a reaction of high relevance to drug discovery. The study employed advanced spectroscopic techniques, including in-situ NMR and X-ray absorption spectroscopy, to elucidate the reaction mechanism. The results underscored the compound's ability to stabilize reactive intermediates, thereby facilitating otherwise challenging transformations. This work opens new avenues for the design of more efficient and atom-economical synthetic routes.

Beyond its synthetic utility, RuH2(CO)(PPh3)3 has emerged as a candidate for biomedical applications. A 2024 study in Chemical Science explored its potential as an anticancer agent, leveraging its ability to generate reactive oxygen species (ROS) under physiological conditions. The compound exhibited selective cytotoxicity against cancer cell lines, with minimal effects on normal cells. Mechanistic studies suggested that its activity is linked to mitochondrial dysfunction and DNA damage, pathways that are increasingly targeted in oncology. These findings position RuH2(CO)(PPh3)3 as a promising scaffold for the development of novel metal-based therapeutics.

Despite these advancements, challenges remain in the practical deployment of RuH2(CO)(PPh3)3. Issues such as ligand stability under prolonged reaction conditions and the need for optimized delivery systems in biomedical contexts are areas of active research. Recent efforts have focused on modifying the phosphine ligands to enhance stability and reactivity, as reported in a 2023 ACS Catalysis paper. Additionally, nanoparticle-based delivery systems are being explored to improve the bioavailability and targeting of ruthenium complexes in therapeutic applications.

In conclusion, Carbonyldihydrotris(triphenylphosphine)ruthenium(II) (CAS 25360-32-1) continues to be a compound of significant interest in chemical biology and pharmaceutical research. Its dual role as a catalyst and a therapeutic agent underscores its versatility and potential for interdisciplinary applications. Future research directions may include the development of more robust derivatives, detailed mechanistic studies to further elucidate its mode of action, and translational studies to evaluate its clinical potential. As the field progresses, this compound is poised to make substantial contributions to both synthetic chemistry and medicine.

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