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4-Nitro-3-trifluoromethyl aniline

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4-Nitro-3-trifluoromethyl aniline Basic information

Product Name:
4-Nitro-3-trifluoromethyl aniline
Synonyms:
  • 4-Nitro-3-Triflouromethyl Aniline (Flutamide Intermediate)
  • Flutamide ImpurityⅠ:4-Nitro-3-(trifluoromethyl)aniline
  • α,α,α-Trifluoro-4-nitro-m-toluidine
  • 4-nitro-3-(trifluoromethyl)benzeneamine
  • Flutamide Impurity A
  • 4-Nitro-α,α,α
  • 4-Nitro-3-(trifluoromethyl)aniline (FLU-1)
  • 5-Amino-2-nitrobenzotrifluoride, 4-Nitro-α,α,α-trifluoro-m-toluidine
CAS:
393-11-3
MF:
C7H5F3N2O2
MW:
206.12
EINECS:
206-884-6
Product Categories:
  • Anilines, Aromatic Amines and Nitro Compounds
  • Amines
  • Trifluoromethylbenzene serise
  • Phenyls & Phenyl-Het
  • Phenyls & Phenyl-Het
  • Amines, Aromatics, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
  • Aromatics
  • Intermediates & Fine Chemicals
  • Metabolites & Impurities
  • Pharmaceuticals
  • 393-11-3
Mol File:
393-11-3.mol
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4-Nitro-3-trifluoromethyl aniline Chemical Properties

Melting point:
125-129 °C (lit.)
Boiling point:
326.4±42.0 °C(Predicted)
Density 
1.4711 (estimate)
storage temp. 
2-8°C
solubility 
DMSO (Slightly), Methanol (Slightly)
pka
-0.22±0.10(Predicted)
color 
Yellow to Orange-Yellow
BRN 
2650702
InChIKey
UTKUVRNVYFTEHF-UHFFFAOYSA-N
CAS DataBase Reference
393-11-3(CAS DataBase Reference)
NIST Chemistry Reference
5-Amino-2-nitrobenzotrifluoride(393-11-3)
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-20/21/22
Safety Statements 
26-36-36/37
WGK Germany 
2
Hazard Note 
Irritant
HS Code 
29214200

MSDS

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4-Nitro-3-trifluoromethyl aniline Usage And Synthesis

Description

4-Nitro-3-trifluoromethyl aniline is an organic intermediate, which can be used to prepare 4-bromo-2-nitrotrifluorotoluene, an intermediate of medicine and optical waveguide materials, and flutamide, a non steroidal anti androgen drug.

Chemical Properties

Orange to Brown to Dark red powder to crystal.

Uses

4-Nitro-3-(trifluoromethyl)aniline is a metabolite of Flutamide (F598850) (FLU-1 or M2).

Uses

A metabolite of Flutamide (FLU-1 or M2).

Synthesis

The thiazolium salt 3 (3.30 mg, 0.0122 mmol) was added to a solution of 1-azido-4-nitrobenzene (0.122 mmol) and t-BuOH (18.0 mg, 0.244 mmol) in degassed THF (0.50 mL) under argon at r.t. The resulting suspension was stirred for 5 min, and then NaOt-Bu (23.4 mg, 0.244 mmol) was added in one portion, and the mixture was stirred (Table 2). Water (2 mL) was added, and the products were extracted with EtOAc (2 ?á 2 mL), the combined organic phase was dried over anhyd MgSO4, filtered, and concentrated in vacuo. Purification was achieved by passing the resulting residue through a short pad of silica (eluting with 50% light PE-EtOAc) unless otherwise stated.
4-Nitro-3-trifluoromethyl aniline, Time: 12 h, Pale yellow solid (21.0 mg, 84%). (70:30 petrol-EtOAc) 0.5; mp 90-93 ??C (lit., 92-93 ??C); IR (FTIR, CHCl3) |ímax cm-1: 3535 (NH2), 3434 (NH2), 1635, 1592 (NO2), 1520 (NO2), 1119; 1H NMR (400 MHz, DMSO-6) 8.59 (d, = 2.7 Hz, 1H), 8.55 (dd, = 9.3, 2.7 Hz, 1H), 7.55 (br s, 2H), 7.32 (d, = 9.3 Hz, 1H); 13C NMR (100 MHz, DMSO-6) 151.8 (C), 135.0 (C), 128.7 (CH), 123.7 (J = 5.9 Hz, F3N2NaO2 [M+Na]+, 229.0195; found, 229.0195.

Fig. The synthetic of 4-Nitro-3-trifluoromethyl aniline

4-Nitro-3-trifluoromethyl aniline Preparation Products And Raw materials

Preparation Products

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