6-methyl-2-(trifluoromethyl)-1H-benzimidazole

Base Information

• Chemical Name: 6-methyl-2-(trifluoromethyl)-1H-benzimidazole
• CAS No.: 399-77-9
• Molecular Formula: C₉H₇F₃N₂
• Molecular Weight: 200.163
• Hs Code.: 2933990090
• European Community (EC) Number: 651-890-8
• DSSTox Substance ID: DTXSID70192946
• Nikkaji Number: J1.453.070C
• Wikidata: Q83065629
• Mol file: 399-77-9.mol

Synonyms:399-77-9;6-methyl-2-(trifluoromethyl)-1H-benzimidazole;Benzimidazole, 5-methyl-2-(trifluoromethyl)-;5-methyl-2-(trifluoromethyl)-1H-benzo[d]imidazole;5-methyl-2-(trifluoromethyl)-1H-1,3-benzodiazole;1H-Benzimidazole,5-methyl-2-(trifluoromethyl)-(9CI);BRN 0012325;5-Methyl-2-(trifluoromethyl)benzimidazole;6-methyl-2-(trifluoromethyl)benzimidazole;TimTec1_002427;4-23-00-01149 (Beilstein Handbook Reference);SCHEMBL171627;DTXSID70192946;OLLDPPSRICPSTA-UHFFFAOYSA-N;HMS1540O07;MFCD00457964;STK325467;AKOS003573849;CS-0078985;AG-670/31516005;BRD-K60615133-001-01-5

Chemical Property of 6-methyl-2-(trifluoromethyl)-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 0.00588mmHg at 25°C
• Boiling Point: 282°Cat760mmHg
• Flash Point: 124.4°C
• PSA: 28.68000
• Density: 1.381g/cm³
• LogP: 2.89010
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 200.05613272
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

6-Methyl-2-(trifluoromethyl)-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(N2)C(F)(F)F

Technology Process of 6-methyl-2-(trifluoromethyl)-1H-benzimidazole

There total 4 articles about 6-methyl-2-(trifluoromethyl)-1H-benzimidazole 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: 80.0%

1,1,1,5,5,5-hexafluoroacetylacetone (1522-22-1) + 4-methyl-1,2-diaminobenzene (496-72-0) → 5-Methyl-2-trifluormethyl-benzimidazol (399-77-9)

Guidance literature:

With iron(III) trifluoromethanesulfonate; In N,N-dimethyl-formamide; at 80 ℃; for 24h;

DOI:10.1016/j.tetlet.2016.06.086

Reference yield:

N-(2-Amino-4-methyl-phenyl)-2,2,2-trifluoro-acetamide (128691-96-3) → 5-Methyl-2-trifluormethyl-benzimidazol (399-77-9) + 6-methyl-2-trifluoromethylbenzimidazole

Guidance literature:

With Montmorillonite K₁₀; In tetrahydrofuran; for 0.0333333h; Title compound not separated from byproducts; Irradiation;

DOI:10.1016/S0040-4020(00)00992-3

Reference yield:

4-methyl-1,2-diaminobenzene (496-72-0) + trifluoroacetic acid (76-05-1) → 5-Methyl-2-trifluormethyl-benzimidazol (399-77-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9550000534

upstream raw materials:

4-methyl-1,2-diaminobenzene

trifluoroacetic acid

N-(2-Amino-4-methyl-phenyl)-2,2,2-trifluoro-acetamide

1,1,1,5,5,5-hexafluoroacetylacetone