2-Trifluoromethylbenzamidine

Base Information

• Chemical Name: 2-Trifluoromethylbenzamidine
• CAS No.: 656813-83-1
• Molecular Formula: C8H7F3N2
• Molecular Weight: 188.152
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID20390834
• Wikidata: Q82187894
• Mol file: 656813-83-1.mol

Synonyms:2-Trifluoromethylbenzamidine;656813-83-1;2-(trifluoromethyl)benzenecarboximidamide;2-(trifluoromethyl)benzene-1-carboximidamide;2-TRIFLUOROMETHYL-BENZAMIDINE;SCHEMBL958496;2-(trifluoromethyl)benzamidine;DTXSID20390834;STL370798;FT-0739244;EN300-251412

Chemical Property of 2-Trifluoromethylbenzamidine

Chemical Property:

• Vapor Pressure: 0.0789mmHg at 25°C
• Boiling Point: 227.1oC at 760 mmHg
• Flash Point: 91.2oC
• PSA: 49.87000
• Density: 1.33g/cm3
• LogP: 2.78950
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.05613272
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

96% ^*data from raw suppliers

2-(trifluoromethyl)benzene-1-carboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=N)N)C(F)(F)F

Technology Process of 2-Trifluoromethylbenzamidine

There total 1 articles about 2-Trifluoromethylbenzamidine 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: 74.0%

2-(trifluoromethyl)benzonitrile (447-60-9) → 2-(trifluoromethyl)benzimidamide (656813-83-1)

Guidance literature:

With potassium hexamethylsilazane; In tetrahydrofuran; at 50 ℃; for 3h;

Reference yield: 50.0%

2-(trifluoromethyl)benzimidamide (656813-83-1) + Methyl 4,4-dimethyl-3-oxopentanoate (55107-14-7) → 6-tert-butyl-2-[2-(trifluoromethyl)phenyl]-3H-pyrimidin-4-one (656813-85-3)

Guidance literature:

With sodium ethanolate; In ethanol; for 16h; Heating / reflux;

Reference yield: 50.0%

2-(trifluoromethyl)benzimidamide (656813-83-1) + acetoacetic acid methyl ester (105-45-3) → 6-methyl-2-[2-(trifluoromethyl)phenyl]-3H-pyrimidin-4-one (404828-01-9)

Guidance literature:

With sodium ethanolate; In ethanol; for 24h; Heating / reflux;

upstream raw materials:

2-(trifluoromethyl)benzonitrile

Downstream raw materials:

6-tert-butyl-2-[2-(trifluoromethyl)phenyl]-3H-pyrimidin-4-one

6-methyl-2-[2-(trifluoromethyl)phenyl]-3H-pyrimidin-4-one

5-(3-Chloro-thiophen-2-yl)-2-(4-trifluoromethyl-phenyl)-1H-imidazole

5-(3-Bromo-thiophen-2-yl)-2-(4-trifluoromethyl-phenyl)-1H-imidazole

Refernces