N1-Phenyl-4-(trifluoromethyl)benzene-1,2-diamine

Base Information

• Chemical Name: N1-Phenyl-4-(trifluoromethyl)benzene-1,2-diamine
• CAS No.: 1651-43-0
• Molecular Formula: C₁₃H₁₁F₃N₂
• Molecular Weight: 252.239
• DSSTox Substance ID: DTXSID001238826
• ChEMBL ID: CHEMBL1308435
• Mol file: 1651-43-0.mol

Synonyms:1651-43-0;N1-Phenyl-4-(trifluoromethyl)benzene-1,2-diamine;1-N-phenyl-4-(trifluoromethyl)benzene-1,2-diamine;N1-Phenyl-4-(trifluoromethyl)-1,2-benzenediamine;N~1~-phenyl-4-(trifluoromethyl)-1,2-benzenediamine;MLS000755672;CHEMBL1308435;JTIMILPRKMFOMI-UHFFFAOYSA-N;DTXSID001238826;HMS2615D16;MFCD05669420;AKOS005107526;MS-1072;SB82033;SMR000337334;SR-01000309826;SR-01000309826-1

Chemical Property of N1-Phenyl-4-(trifluoromethyl)benzene-1,2-diamine

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 252.08743285
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

N1-PHENYL-4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(F)(F)F)N

Technology Process of N1-Phenyl-4-(trifluoromethyl)benzene-1,2-diamine

There total 9 articles about N1-Phenyl-4-(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: 99.0%

2-nitro-N-phenyl-4-(trifluoromethyl)aniline (2715-01-7) → 2-amino-N-phenyl-4-(trifluoromethyl)aniline (1651-43-0)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; for 6h; Reflux;

DOI:10.1016/j.poly.2014.07.015

Reference yield:

1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) → 2-amino-N-phenyl-4-(trifluoromethyl)aniline (1651-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: N-methylmorpholine / dimethylformamide / 16 h / 125 °C

2: H₂ / 10 percent Pd/C / 2-methoxy-ethanol

With 4-methyl-morpholine; hydrogen; 10% palladium on active carbon; In 2-methoxy-ethanol; N,N-dimethyl-formamide;

DOI:10.1055/s-2002-25366

Reference yield:

aniline (62-53-3) → 2-amino-N-phenyl-4-(trifluoromethyl)aniline (1651-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: N-methylmorpholine / dimethylformamide / 16 h / 125 °C

2: H₂ / 10 percent Pd/C / 2-methoxy-ethanol

With 4-methyl-morpholine; hydrogen; 10% palladium on active carbon; In 2-methoxy-ethanol; N,N-dimethyl-formamide;

DOI:10.1055/s-2002-25366

upstream raw materials:

2-nitro-N-phenyl-4-(trifluoromethyl)aniline

1-fluoro-2-nitro-4-trifluoromethyl-benzene

aniline

2-chloro-3-nitro-5-trifluoromethylbenzene

Downstream raw materials:

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