4-Bromo-5-(trifluoromethyl)benzene-1,2-diamine

Base Information

• Chemical Name: 4-Bromo-5-(trifluoromethyl)benzene-1,2-diamine
• CAS No.: 157590-60-8
• Molecular Formula: C7H6BrF3N2
• Molecular Weight: 255.037
• Hs Code.: 2921511990
• DSSTox Substance ID: DTXSID60441495
• Wikidata: Q82258276
• Mol file: 157590-60-8.mol

Synonyms:157590-60-8;4-bromo-5-(trifluoromethyl)benzene-1,2-diamine;2-amino-4-bromo-5-(trifluoromethyl)phenylamine;1,2-Benzenediamine, 4-bromo-5-(trifluoromethyl)-;1,2-Diamino-4-bromo-5-(trifluoromethyl)benzene;MFCD09263998;SCHEMBL848016;DTXSID60441495;AKOS005073501;AB50366;MD-0073;SY260309;CS-0087936;FT-0681708;4-Bromo-5-trifluoromethyl-benzene-1,2-diamine;F51085;1-Bromo-4,5-diamino-2-(trifluoromethyl)benzene;4-Bromo-5-(trifluoromethyl)-1,2-benzenediamine;A853982;J-514760

Chemical Property of 4-Bromo-5-(trifluoromethyl)benzene-1,2-diamine

Chemical Property:

• Boiling Point: 284.5±40.0 °C(Predicted)
• PKA: 2.23±0.10(Predicted)
• PSA: 52.04000
• Density: 1.774±0.06 g/cm3(Predicted)
• LogP: 3.79470
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 253.96665
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-bromo-5-(trifluoromethyl)phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1N)N)Br)C(F)(F)F

Technology Process of 4-Bromo-5-(trifluoromethyl)benzene-1,2-diamine

There total 9 articles about 4-Bromo-5-(trifluoromethyl)benzene-1,2-diamine 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%

4-bromo-2-nitro-5-(trifluoromethyl)aniline (683241-86-3) → 4-bromo-5-(trifluoromethyl)benzene-1,2-diamine (157590-60-8)

Guidance literature:

With hydrogen; 10Mol% palladium on carbon; In ethanol; dichloromethane; for 0.5h;

Reference yield:

5-Bromo-2-nitro-4-trifluoromethyl-phenylamine (1026267-58-2) → 4-bromo-5-(trifluoromethyl)benzene-1,2-diamine (157590-60-8)

Guidance literature:

With tin(ll) chloride; In ethanol; ethyl acetate; at 70 ℃; for 0.583333h;

DOI:10.1021/jm00022a003

Reference yield:

N-(4-bromo-3-trifluoromethylphenyl)acetamide (41513-05-7) → 4-bromo-5-(trifluoromethyl)benzene-1,2-diamine (157590-60-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 7.2 g / H₂SO₄; HNO₃ / H₂O / 3 h / 20 °C

2: 88 percent / aq. NaOH / methanol / 2 h / 90 °C

3: 93 percent / SnCl₂*2H₂O / ethyl acetate; ethanol / 1 h / 70 °C

With sodium hydroxide; sulfuric acid; nitric acid; tin(ll) chloride; In methanol; ethanol; water; ethyl acetate;

DOI:10.1021/jm060065y

upstream raw materials:

5-Bromo-2-nitro-4-trifluoromethyl-phenylamine

4-bromo-2-nitro-5-(trifluoromethyl)aniline

N-(4-bromo-3-trifluoromethylphenyl)acetamide

N-[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]acetamide

Downstream raw materials:

2,6-difluoro-N-(5-(6-(trifluoromethyl)benzo[c][1,2,5]thiadiazol-5-yl)pyridin-2-yl)benzamide

N-(4-(trifluoromethyl)benzyl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazol-5-ylamine