Tris(2-(1H-pyrazol-1-yl)phenyl)iridium

Base Information

• Chemical Name: Tris(2-(1H-pyrazol-1-yl)phenyl)iridium
• CAS No.: 359014-72-5
• Molecular Formula: C₂₇H₂₁IrN₆
• Molecular Weight: 621.724
• Hs Code.: 2933199090
• European Community (EC) Number: 694-403-4
• Mol file: 359014-72-5.mol

Synonyms:Tris(2-(1H-pyrazol-1-yl)phenyl)iridium;359014-72-5;Tris(phenylpyrazole)iridium;iridium(3+);1-phenylpyrazole;tris[2-(1H-pyrazol-1-yl)phenyl]iridium;TRIS-(PHENYLPYRAZOLE)IRIDIUM;MFCD12032091;AKOS016006267;AS-63888;A874501

Chemical Property of Tris(2-(1H-pyrazol-1-yl)phenyl)iridium

Chemical Property:

• PSA: 53.46000
• LogP: 5.01750
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 622.14569
• Heavy Atom Count: 34
• Complexity: 803

Purity/Quality:

99% ^*data from raw suppliers

Tris(2-(1H-pyrazol-1-yl)phenyl)iridium 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C([C-]=C1)N2C=CC=N2.C1=CC=C([C-]=C1)N2C=CC=N2.C1=CC=C([C-]=C1)N2C=CC=N2.[Ir+3]

Technology Process of Tris(2-(1H-pyrazol-1-yl)phenyl)iridium

There total 8 articles about Tris(2-(1H-pyrazol-1-yl)phenyl)iridium 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: 65.0%

1-phenylpyrazole (1126-00-7) → tris(1-phenyl-κC1-pyrazolato-κN2)iridium (562824-23-1,562824-20-8,359014-72-5)

Guidance literature:

In water; ethylene glycol; at 180 ℃; for 17h; Inert atmosphere;

Reference yield: 25.0%

1-phenylpyrazole (1126-00-7) + iridium(III) trisacetylacetonate → tris(1-phenyl-κC1-pyrazolato-κN2)iridium (562824-23-1,562824-20-8,359014-72-5)

Guidance literature:

In glycerol; under N2 or Ar atm. using Schlenk techniques; amt. of 1-phenylpyrazole dissolved in glycerol; mixt. heated at reflux under N2 for 10 h; cooled; 1 M HCl added; ppt. collected by filtration; dissolved in hot CH2Cl2; vol. reduced; concd. soln. was flash-chromd. on silica gel (CH2Cl2 as eluent); soln. concd.; recrystd. (CH2Cl2/MeOH); elem. anal.;

DOI:10.1246/bcsj.77.751

Reference yield:

mer-Λ-tris(1-phenylpyrazolato,N,C(2)')iridium(III) (359014-72-5,562824-20-8,562824-23-1) → fac-Λ-tris(1-phenylpyrazolato,N,C(2)')iridium(III) (359014-72-5,562824-20-8,562824-23-1)

Guidance literature:

In acetonitrile; Irradiation (UV/VIS); soln. of Ir complex in CH3CN irradiated at 25°C; not isolated, detecteed by UV and CD spectra;

DOI:10.1002/ejic.200801254

upstream raw materials:

1-phenylpyrazole

mer-Δ-tris(1-phenylpyrazolato,N,C(2)')iridium(III)

mer-Λ-tris(1-phenylpyrazolato,N,C(2)')iridium(III)

Downstream raw materials:

fac-Λ-tris(1-phenylpyrazolato,N,C(2)')iridium(III)

fac-Δ-tris(1-phenylpyrazolato,N,C(2)')iridium(III)

mer-Λ-tris(1-phenylpyrazolato,N,C(2)')iridium(III)

Refernces

• 1、 -. "METHOD FOR PRODUCING CYCLOMETALATED IRIDIUM COMPLEX". Paragraph 0109. . Retrieved 2019/01/04.