Tetrairidium dodecacarbonyl

Base Information

• Chemical Name: Tetrairidium dodecacarbonyl
• CAS No.: 18827-81-1
• Molecular Formula: C12Ir4 O12
• Molecular Weight: 1105
• Hs Code.: 29310099
• European Community (EC) Number: 631-259-3
• DSSTox Substance ID: DTXSID80474907
• Wikipedia: Tetrairidium_dodecacarbonyl
• Wikidata: Q4164129
• Mol file: 18827-81-1.mol

Synonyms:Tetrairidium dodecacarbonyl;Iridium carbonyl;11065-24-0;DTXSID80474907;MFCD00011064;AKOS015924308;FT-0689504;J-002456;Q4164129

Chemical Property of Tetrairidium dodecacarbonyl

Chemical Property:

• Melting Point: 195 °C (dec.)(lit.)
• PSA: 51.21000
• LogP: -0.43890
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble to water. Slightly soluble in toluene.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 1105.78834
• Heavy Atom Count: 28
• Complexity: 10

Purity/Quality:

99% ^*data from raw suppliers

Iridium carbonyl, min. 98% min. 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir]

Technology Process of Tetrairidium dodecacarbonyl

There total 3 articles about Tetrairidium dodecacarbonyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

iridium(III) chloride trihydrate → Ir4(CO)12 (18827-81-1)

Guidance literature:

With formic acid; In formic acid; byproducts: CO2, H2O, HCl; heating of the Ir salt with 98 % HCOOH (sealed glass tube in a sealed stainless steel jacket) at 100°C for 12 h; filtn., washing with water and MeOH and drying (vac.); elem. anal.;

DOI:10.1016/0022-328X(90)87129-2

Reference yield: 100.0%

ammonium hexachloroiridium(IV) → Ir4(CO)12 (18827-81-1)

Guidance literature:

With formic acid; In formic acid; heating of the Ir salt with 98 % HCOOH (sealed glass tube in a sealed stainless steel jacket) at 100°C for 12 h; filtn., washing with water and MeOH and drying (vac.); elem. anal.;

DOI:10.1016/0022-328X(90)87129-2

Reference yield:

carbon monoxide (201230-82-2) + [NaIr(cycloocta-1,5-diene)(4-tert-butylpyridine-2,6-bis[2-(4,6-di-tert-butylphenolate)])]2 (1350449-05-6) → tetrairidium dodecacarbonyl (18827-81-1)

Guidance literature:

In tetrahydrofuran; under N2; Ir complex dissolved in THF; cooled to -78°C; CO introduced; warmed to room temp.; stirred overnight; pumped down; solid dissolved in pentane; filtered; evapd. slowly; crystals obtained; detd. by X-ray diffraction and IR spectra;

DOI:10.1021/om201069k

upstream raw materials:

carbon monoxide

[NaIr(cycloocta-1,5-diene)(4-tert-butylpyridine-2,6-bis[2-(4,6-di-tert-butylphenolate)])]2

Downstream raw materials:

tetraphenylarsonium tetracarbonyliridate

Ir₄(CO)8(P(OC₆H₅)3)4

Ir₄(CO)8(P(C₆H₅)2CH₃)4

Refernces

• 1、 Fu, Ross,Bercaw, John E.,Labinger, Jay A.. "Intra- and intermolecular C-H activation by bis(phenolate) pyridineiridium(III) complexes". . p. 6751 - 6765. Retrieved 2012/02/05.