N-[2-amino-4-(trifluoromethyl)phenyl]-N,N-dimethylamine

Base Information

• Chemical Name: N-[2-amino-4-(trifluoromethyl)phenyl]-N,N-dimethylamine
• CAS No.: 183251-95-8
• Molecular Formula: C9H11F3N2
• Molecular Weight: 204.195
• European Community (EC) Number: 863-909-9
• DSSTox Substance ID: DTXSID10368885
• Wikidata: Q82155761
• Mol file: 183251-95-8.mol

Synonyms:183251-95-8;N-[2-amino-4-(trifluoromethyl)phenyl]-N,N-dimethylamine;N1,N1-Dimethyl-4-(trifluoromethyl)benzene-1,2-diamine;N1,N1-dimethyl-4-(trifluoromethyl)-1,2-benzenediamine;1-N,1-N-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine;N~1~,N~1~-dimethyl-4-(trifluoromethyl)-1,2-benzenediamine(SALTDATA: FREE);SCHEMBL2968966;DTXSID10368885;MFCD06359952;AKOS000100482;SB78229;BS-35803;CS-0117134;EN300-11164;J-011728;Z57036273

Chemical Property of N-[2-amino-4-(trifluoromethyl)phenyl]-N,N-dimethylamine

Chemical Property:

• Vapor Pressure: 0.0181mmHg at 25°C
• Boiling Point: 253.6°C at 760 mmHg
• Flash Point: 107.2°C
• PSA: 29.26000
• Density: 1.251g/cm³
• LogP: 2.93480
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.08743285
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%Min ^*data from raw suppliers

N1,N1-Dimethyl-4-(trifluoromethyl)-1,2-benzenediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-[2-amino-4-(trifluoromethyl)phenyl]-N,N-dimethylamine

There total 3 articles about N-[2-amino-4-(trifluoromethyl)phenyl]-N,N-dimethylamine 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%

N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline (40700-38-7) → N1,N1-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine (183251-95-8)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; at 20 ℃;

Reference yield:

1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) → N1,N1-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine (183251-95-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 0 - 80 °C

2: zinc; ammonium chloride / ethanol / 16 h / Inert atmosphere; Reflux

With potassium carbonate; ammonium chloride; zinc; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bioorg.2021.105244

Reference yield:

→ N1,N1-dimethyl-4-(trifluoromethyl)benzene-1,2-diamine (183251-95-8)

Guidance literature:

upstream raw materials:

N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline

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

Downstream raw materials:

C₁₉H₁₉F₃N₂O