1-(2-Trifluoromethylphenyl)imidazole

Base Information

• Chemical Name: 1-(2-Trifluoromethylphenyl)imidazole
• CAS No.: 25371-96-4
• Molecular Formula: C₁₀H₇F₃N₂
• Molecular Weight: 212.174
• Hs Code.: 29339900
• European Community (EC) Number: 636-734-9
• DSSTox Substance ID: DTXSID9045217
• Nikkaji Number: J691.398I
• Wikidata: Q27089025
• Pharos Ligand ID: Q9A5L2PSNXW2
• ChEMBL ID: CHEMBL277525
• Mol file: 25371-96-4.mol

Synonyms:1-(2-trifluoromethylphenyl)imidazole;1-TRIM

Chemical Property of 1-(2-Trifluoromethylphenyl)imidazole

Chemical Property:

• Appearance/Colour: White solid.
• Vapor Pressure: 0.00565mmHg at 25°C
• Melting Point: 43 °C
• Refractive Index: 1.522
• Boiling Point: 288.3 °C at 760 mmHg
• PKA: 4.96±0.10(Predicted)
• Flash Point: 128.2 °C
• PSA: 17.82000
• Density: 1.27 g/cm³
• LogP: 2.89110
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: Soluble in DMSO (up to 10 mg/ml) or in Ethanol (up to 20 mg/ml).
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 212.05613272
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

TRIM ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(F)(F)F)N2C=CN=C2
• Description: TRIM (25371-96-4) is a potent inhibitor of neuronal and inducible nitric oxide synthases, (IC50?= 28.2 and 27.0 μM respectively). Inhibits endothelial NOS with lower potency (IC50 = 1057.5 μM).1?TRIM displays antinociceptive activity?in vivo.2
• Uses: TRIM is a potent inhibitor of neuronal nitric oxide synthase in vitro, in animal models.

Technology Process of 1-(2-Trifluoromethylphenyl)imidazole

There total 1 articles about 1-(2-Trifluoromethylphenyl)imidazole 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: 97.0%

1H-imidazole (288-32-4) + 1-chloro-2-(trifluoromethyl)benzene (88-16-4) → 1-(2-trifluoromethylphenyl)-imidazole (25371-96-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 7h;

DOI:10.1055/s-0029-1216890

Reference yield: 69.0%

1-(2-trifluoromethylphenyl)-imidazole (25371-96-4) + chlorodicyclohexylphosphane (16523-54-9) → 2-(dicyclohexylphosphino)-1-(2-(trifluoromethyl)phenyl)-1H-imidazole

Guidance literature:

1-(2-trifluoromethylphenyl)-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -30 ℃; for 0.5h; Inert atmosphere;

chlorodicyclohexylphosphane; In tetrahydrofuran; hexane; at -30 - 50 ℃; for 2.5h; Inert atmosphere;

DOI:10.1021/ol402398s

upstream raw materials:

1H-imidazole

1-chloro-2-(trifluoromethyl)benzene

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