5-Amino-2-(trifluoromethyl)benzimidazole

Base Information

• Chemical Name: 5-Amino-2-(trifluoromethyl)benzimidazole
• CAS No.: 3671-66-7
• Molecular Formula: C8H6F3N3
• Molecular Weight: 201.151
• Hs Code.: 2933990090
• European Community (EC) Number: 625-229-9
• DSSTox Substance ID: DTXSID00190172
• Wikidata: Q72442730
• ChEMBL ID: CHEMBL1625689
• Mol file: 3671-66-7.mol

Synonyms:3671-66-7;5-Amino-2-(trifluoromethyl)benzimidazole;2-(Trifluoromethyl)-1H-benzo[d]imidazol-5-amine;2-(trifluoromethyl)-3H-benzimidazol-5-amine;1H-Benzimidazol-5-amine, 2-(trifluoromethyl)-;2-(trifluoromethyl)-1H-benzimidazol-5-amine;2-(trifluoromethyl)-1H-1,3-benzodiazol-5-amine;BENZIMIDAZOLE, 5-AMINO-2-(TRIFLUOROMETHYL)-;BRN 0959064;5-amino-2-(trifluoromethyl)-1h-benzimidazole;MFCD01632182;5-amino-2-trifluoromethylbenzimidazole;2-(trifluoromethyl)-1H-benzimidazol-5-amine dihydrochloride;2-(trifluoromethyl)-1h-benzimidazol-6-amine;71N;2-(trifluoromethyl)benzimidazole-5-ylamine;2-Trifluoromethyl-3H-benzoimidazol-5-ylamine;ChemDiv3_006760;SCHEMBL521212;CHEMBL1625689;DTXSID00190172;HMS1492D06;HMS1692J13;BBL008376;STK501691;2-Trifluoromethyl-5-aminobenzimidazole;AKOS000104139;AKOS000302387;AS-8895;CCG-120244;IDI1_024670;NCGC00245304-01;LS-32632;2-trifluoromethyl-1h-benzoimidazol-5-ylamine;2-trifluoromethyl-3H-benzimidazol-5-ylamine;AM20080812;BB 0217004;CS-0079601;FT-0619967;2-(trifluoromethyl)-1H-benzimidazole-6-amine;2-trifluoromethyl-3 h-benzoimidazol-5-ylamine;EN300-31610;5-Amino-2-(trifluoromethyl)benzimidazole, 96%;D74073;1H-Benzimidazol-6-amine, 2-(trifluoromethyl)-;2-trifluoromethyl-3h-benzo[d]imidazol-5-ylamine;5-AMINO-2-(TRIFLUOROMETHYL)BENZIMIDAZOLE, 97+%

Chemical Property of 5-Amino-2-(trifluoromethyl)benzimidazole

Chemical Property:

• Vapor Pressure: 3.67E-05mmHg at 25°C
• Melting Point: 185-189 °C(lit.)
• Refractive Index: 1.617
• Boiling Point: 353.1 °C at 760 mmHg
• PKA: 11.43±0.10(Predicted)
• Flash Point: 167.3 °C
• PSA: 54.70000
• Density: 1.536g/cm³
• LogP: 2.74510
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 201.05138169
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Amino-2-(trifluoromethyl)-1H-benzimidazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)NC(=N2)C(F)(F)F

Technology Process of 5-Amino-2-(trifluoromethyl)benzimidazole

There total 3 articles about 5-Amino-2-(trifluoromethyl)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: 92.0%

5-nitro-2-(trifluoromethyl)-1H-benzo[d]imidazole (327-19-5) → 2-(trifluoromethyl)-1H-benzo[d]imidazole-5-amine (3671-66-7)

Guidance literature:

With hydrogenchloride; tin(II) chloride dihdyrate; In ethanol; water; at 80 ℃;

DOI:10.1016/j.bioorg.2021.104765

Reference yield:

4-Nitrophenylene-1,2-diamine (99-56-9) → 2-(trifluoromethyl)-1H-benzo[d]imidazole-5-amine (3671-66-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium metabisulfite / ethanol; water / 80 °C

2: hydrogenchloride; tin(II) chloride dihdyrate / ethanol; water / 80 °C

With hydrogenchloride; sodium metabisulfite; tin(II) chloride dihdyrate; In ethanol; water;

DOI:10.1016/j.bioorg.2021.104765

Reference yield:

→ 2-(trifluoromethyl)-1H-benzo[d]imidazole-5-amine (3671-66-7)

Guidance literature:

Diamin, RCOOH;

upstream raw materials:

4-Nitrophenylene-1,2-diamine

5-nitro-2-(trifluoromethyl)-1H-benzo[d]imidazole

Downstream raw materials:

PCM-0102151

N-ethyl-N'-{3-[2-methoxy-imino-3-(3-trifluoromethyl-phenoxy)-propyl]-2-trifluoromethyl-3H-benzoimidazol-5-yl}-N-methyl-formamidine

N-ethyl-N'-{1-[2-methoxyimino-3-(3-trifluoromethyl-phenoxy)-propyl]-2-trifluoro-methyl-1H-benzoimidazol-5-yl}-N-methyl-formamidine

Refernces