5,6-Dimethyl-2-trifluoromethylbenzimidazole

Base Information

• Chemical Name: 5,6-Dimethyl-2-trifluoromethylbenzimidazole
• CAS No.: 1799-79-7
• Molecular Formula: C10H9F3N2
• Molecular Weight: 214.1871
• Hs Code.: 2933990090
• European Community (EC) Number: 634-033-2
• NSC Number: 97019
• UNII: H8PX999RE7
• DSSTox Substance ID: DTXSID30170881
• Nikkaji Number: J41.311I
• Wikidata: Q83040898
• ChEMBL ID: CHEMBL1946481
• Mol file: 1799-79-7.mol

Synonyms:1799-79-7;5,6-dimethyl-2-(trifluoromethyl)-1H-benzimidazole;5,6-Dimethyl-2-trifluoromethylbenzimidazole;5,6-dimethyl-2-(trifluoromethyl)-1H-benzo[d]imidazole;BENZIMIDAZOLE, 5,6-DIMETHYL-2-TRIFLUOROMETHYL-;NSC 97019;BRN 0613679;1H-Benzimidazole, 5,6-dimethyl-2-(trifluoromethyl)-;H8PX999RE7;NSC-97019;5-23-06-00505 (Beilstein Handbook Reference);NSC97019;UNII-H8PX999RE7;SCHEMBL7807160;CHEMBL1946481;DTXSID30170881;MFCD00022676;AKOS010204019;WLN: T56 BM DNJ CXFFF G1 H1;LS-32914;Benzimidazole,6-dimethyl-2-trifluoromethyl-;CS-0078989;5,6-dimethyl-2-trifluoromethyl-1h-benzimidazole;1H-Benzimidazole,6-dimethyl-2-(trifluoromethyl)-;5,6-Dimethyl-2-trifluoromethyl-1H-benzoimidazole;2-(Trifluoromethyl)-5,6-dimethyl-1H-benzimidazole

Chemical Property of 5,6-Dimethyl-2-trifluoromethylbenzimidazole

Chemical Property:

• Vapor Pressure: 0.0015mmHg at 25°C
• Boiling Point: 305.3°Cat760mmHg
• PKA: 10.41±0.10(Predicted)
• Flash Point: 138.4°C
• PSA: 28.68000
• Density: 1.329g/cm³
• LogP: 3.19850
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 214.07178278
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

5,6-Dimethyl-2-(trifluoromethyl)-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N=C(N2)C(F)(F)F

Technology Process of 5,6-Dimethyl-2-trifluoromethylbenzimidazole

There total 4 articles about 5,6-Dimethyl-2-trifluoromethylbenzimidazole 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: 98.0%

4,5-dimethyl-1,2-phenylenediamine (3171-45-7) + trifluoroacetic acid (76-05-1) → 5,6-dimethyl-2-(trifluoromethyl)-1H-benzo[d]imidazole (1799-79-7)

Guidance literature:

at 70 ℃; for 16h;

DOI:10.1016/j.tetlet.2012.09.069

Reference yield: 93.0%

1,1,1,5,5,5-hexafluoroacetylacetone (1522-22-1) + 4,5-dimethyl-1,2-phenylenediamine (3171-45-7) → 5,6-dimethyl-2-(trifluoromethyl)-1H-benzo[d]imidazole (1799-79-7)

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: 84.0%

N-(2-amino-4,5-dimethyl-phenyl)-2,2,2-trifluoro-acetamide → 5,6-dimethyl-2-(trifluoromethyl)-1H-benzo[d]imidazole (1799-79-7)

Guidance literature:

With Montmorillonite K₁₀; In tetrahydrofuran; for 0.0333333h; Irradiation;

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

upstream raw materials:

4,5-dimethyl-1,2-phenylenediamine

trifluoroacetic acid

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