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(η3-C6H3(OP(tert-butyl)2)2)IrHCl is a complex chemical compound featuring the metal iridium (Ir) bonded to a ligand with phenyl and tert-butyl functional groups. The iridium is also coordinated to a chloride ion and a hydride ion, resulting in a stable and selective catalyst for various applications in organic synthesis.

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  • 671789-61-0 Structure
  • Basic information

    1. Product Name: (η3-C6H3(OP(tert-butyl)2)2)IrHCl
    2. Synonyms:
    3. CAS NO:671789-61-0
    4. Molecular Formula:
    5. Molecular Weight: 626.179
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 671789-61-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (η3-C6H3(OP(tert-butyl)2)2)IrHCl(CAS DataBase Reference)
    10. NIST Chemistry Reference: (η3-C6H3(OP(tert-butyl)2)2)IrHCl(671789-61-0)
    11. EPA Substance Registry System: (η3-C6H3(OP(tert-butyl)2)2)IrHCl(671789-61-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 671789-61-0(Hazardous Substances Data)

671789-61-0 Usage

Uses

Used in Pharmaceutical Industry:
(η3-C6H3(OP(tert-butyl)2)2)IrHCl is used as a catalyst for the hydrogenation of organic compounds, which is crucial in the synthesis of various pharmaceutical products. Its high stability and selectivity make it a valuable tool in the development of new drugs and the improvement of existing ones.
Used in Chemical Industry:
In the chemical industry, (η3-C6H3(OP(tert-butyl)2)2)IrHCl is used as a catalyst in homogeneous catalysis for the hydrogenation of various organic compounds. This process is essential for the production of numerous chemicals, including fine chemicals, agrochemicals, and specialty chemicals.
Used in Research and Development:
(η3-C6H3(OP(tert-butyl)2)2)IrHCl is employed as a catalyst in research and development laboratories, where it is used to study the mechanisms of hydrogenation reactions and to develop new synthetic methods for organic compounds. Its unique properties make it an essential tool for advancing the field of homogeneous catalysis and understanding the underlying chemical processes.

Check Digit Verification of cas no

The CAS Registry Mumber 671789-61-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,7,1,7,8 and 9 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 671789-61:
(8*6)+(7*7)+(6*1)+(5*7)+(4*8)+(3*9)+(2*6)+(1*1)=210
210 % 10 = 0
So 671789-61-0 is a valid CAS Registry Number.

671789-61-0Downstream Products

671789-61-0Relevant articles and documents

Iridium Bis(phosphinite) p-XPCP Pincer Complexes: Highly Active Catalysts for the Transfer Dehydrogenation of Alkanes

G?ttker-Schnetmann, Inigo,White, Peter,Brookhart, Maurice

, p. 1804 - 1811 (2007/10/03)

A series of new bis(phosphinite) p-XPCPlrHCl pincer complexes {[PCP = η3-5-X-C6H2[OP-(tBu)2] 2-1,3], X = MeO (4a), Me (4b), H (4c), F (4d), C6F 5 (4e), and ArF [=3,5-bis(trifluoromethyl)phenyl] (4f)} have been synthesized. Treatment of compounds 4a-f with NatOBu in cyclooctane (COA)/tert-butylethylene (TBE) mixtures generates species with unprecedented catalytic activity for the catalyzed transfer dehydrogenation of COA with TBE as acceptor to form cyclooctene (COE) and tert-butylethane (TBA). With substrate: precatalyst ratios of 3030COA:3030TBE:1 p-XPCPlrHCl (4): 1.1NaOtBu, turnover numbers (TONs) between 1400 and 2200 (up to 72% conversion in TBE) and initial turnover frequencies (TOFs) between 1.6 and 2.4 s-1 have been observed at 200 °C.

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