3-Amino-4-nitrobenzitrifluoride

Base Information

• Chemical Name: 3-Amino-4-nitrobenzitrifluoride
• CAS No.: 402-14-2
• Molecular Formula: C7H5F3N2O2
• Molecular Weight: 206.124
• Hs Code.: 29214990
• Mol file: 402-14-2.mol

Synonyms:NSC 10324;2-Nitro-5-(trifluoromethyl)aniline;5-Trifluoromethyl-2-nitroaniline;m-Toluidine,a,a,a-trifluoro-6-nitro- (5CI);

Chemical Property of 3-Amino-4-nitrobenzitrifluoride

Chemical Property:

• Melting Point: 98-100 °C
• Boiling Point: 290.5 °C at 760 mmHg
• PKA: -1.66±0.25(Predicted)
• Flash Point: 129.5 °C
• PSA: 71.84000
• Density: 1.503 g/cm³
• LogP: 3.30020
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO, Methanol

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Nitro-5-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Nitro-5-(trifluoromethyl)aniline is a reagent in the synthesis of benzo[d]imidazole derivatives which has vasorelaxant activity and antihypertensive effects.

Technology Process of 3-Amino-4-nitrobenzitrifluoride

There total 5 articles about 3-Amino-4-nitrobenzitrifluoride 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: 76.0%

p-nitrobenzotrifluoride (402-54-0) → 2-nitro-5-(trifluoromethyl)aniline (402-14-2)

Guidance literature:

With O-Methylhydroxylamin; potassium tert-butylate; copper(l) chloride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1039/a901537j

Reference yield:

N-acetyl-3-trifluoromethylbenzenamine (351-36-0) → 4-nitro-3-(trifluoromethyl)benzeneamine (393-11-3) + 2-nitro-5-(trifluoromethyl)aniline (402-14-2)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

3-trifluoromethylaniline (98-16-8) → 2-nitro-5-(trifluoromethyl)aniline (402-14-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 33 percent / potassium nitrate / 0 - 25 °C

2: 96 percent / potassium carbonate / ethanol; H₂O / 3 h / 50 °C

With potassium carbonate; potassium nitrate; In ethanol; water;

DOI:10.1016/j.ejmech.2005.09.001

upstream raw materials:

N-acetyl-3-trifluoromethylbenzenamine

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

p-nitrobenzotrifluoride

3-trifluoromethylaniline

Downstream raw materials:

2-nitro-5-trifluormethyl-diphenylamine

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

2,3-dimethyl-6-(trifluoromethyl)quinoxaline

tert-butyl (2-amino-5-(trifluoromethyl)phenyl)carbamate

Refernces

• 1、 Seko, Shinzo,Miyake, Kunihito,Kavvamura, Norio. "A convenient copper-catalyzed direct animation of nitroarenes with 9-alkylhydroxylamines". . p. 1437 - 1444. Retrieved 2007/10/03.
• 2、 -. "Benzimidazolinone derivatives". . . Retrieved 2008/06/13.