n1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine

Base Information

• Chemical Name: n1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
• CAS No.: 35203-49-7
• Molecular Formula: C8H9F3N2
• Molecular Weight: 190.168
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID00351968
• Nikkaji Number: J1.802.840I
• Wikidata: Q82128827
• Mol file: 35203-49-7.mol

Synonyms:n1-methyl-4-(trifluoromethyl)benzene-1,2-diamine;35203-49-7;1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine;3,4-Diamino-N4-methylbenzotrifluoride;1,2-Benzenediamine, N1-methyl-4-(trifluoromethyl)-;N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine;N1-methyl-4-trifluoromethylbenzene-1,2-diamine;SCHEMBL115650;N-[2-Amino-4-(trifluoromethyl)-phenyl]-N-methylamine;DTXSID00351968;3-amino-4-methylaminobenzotrifluoride;MFCD01571385;STK664200;AKOS005535661;PS-10963;CS-0046909;FT-0639241;W11084;n-methyl-4-(trifluoromethyl)benzene-1,2-diamine;N1-Methyl-4-trifluoromethyl-benzene-1,2-diamine;A822649;N-1-Methyl-4-trifluoromethyl-benzene-1,2-diamine;F2167-8488;U43

Chemical Property of n1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 0.0226mmHg at 25°C
• Melting Point: 53 °C
• Refractive Index: 1.535
• Boiling Point: 249.7 °C at 760mmHg
• PKA: 5.33±0.11(Predicted)
• Flash Point: 104.8 °C
• PSA: 38.05000
• Density: 1.314 g/cm³
• LogP: 2.98350
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 190.07178278
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)C(F)(F)F)N

Technology Process of n1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine

There total 7 articles about n1-Methyl-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: 97.0%

→ N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine (35203-49-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 5h; under 760.051 Torr;

Reference yield: 93.5%

α,α,α-Trifluoro-N-methyl-6-nitro-p-toluidine (20200-22-0) → N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine (35203-49-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr; Ambient temperature;

Reference yield:

1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) → N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine (35203-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / Heating

2: Fe; aq. HCl / ethanol / Heating

With hydrogenchloride; iron; In ethanol;

DOI:10.1016/j.bmcl.2004.01.023

upstream raw materials:

α,α,α-Trifluoro-N-methyl-6-nitro-p-toluidine

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

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

4-trifluoromethyl-2-nitroaniline

Downstream raw materials:

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

C₃₆H₃₇F₆N₃O₃

C₂₃H₁₇F₃N₂O₂

3-dimethylaminomethylene-1-methyl-5-phenyl-7-trifluoromethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione

Refernces

• 1、 -. "ANTIBIOTIC COMPOUNDS". Page/Page column 115; 116. . Retrieved 2018/03/25.
• 2、 -. "2-(4-ARYL-1H-IMIDAZOL-1-YL)ANILINE COMPOUNDS". Paragraph 0102. . Retrieved 2015/11/27.