54396-44-0

Basic information

• Product Name: 2-Methyl-3-trifluoromethylaniline
• Synonyms: MABTF;2-METHYL-3-(TRIFLUOROMETHYL)ANILINE;2-METHYL-3-TRIFLUOROMETHYL-PHENYLAMINE;3-TRIFLUOROMETHYL-O-TOLUIDINE;3-PERFLUOROMETHYL-2-METHYLANILINE;3-AMINO-2-METHYLBENZOTRIFLUORIDE;2-Methyl-3-Amino Benzotrifluoride;2-methyl-3-thifluoromethylaniline
• CAS NO: 54396-44-0
• Molecular Formula: C₈H₈F₃N
• Molecular Weight: 175.15
• EINECS: 259-145-5
• Product Categories: Trifluoromethylbenzene serise;API intermediates;Amines;C8;Nitrogen Compounds
• Mol File: 54396-44-0.mol
• Article Data: 12

Chemical Properties

• Melting Point: 38-42 °C(lit.)
• Boiling Point: 62-64°C 4mm
• Flash Point: >210 °F
• Appearance: White/Crystalline Powder
• Density: 1.237 g/cm³
• Vapor Pressure: 1.29E-08mmHg at 25°C
• Refractive Index: 1.38
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 3.23±0.10(Predicted)
• BRN: 2832865
• CAS DataBase Reference: 2-Methyl-3-trifluoromethylaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-3-trifluoromethylaniline(54396-44-0)
• EPA Substance Registry System: 2-Methyl-3-trifluoromethylaniline(54396-44-0)

Safety Data

• Hazard Codes: Xi,T,T+
• Statements: 36/37/38-26/27/28
• Safety Statements: 26-36-24/25
• RIDADR: 2811
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 54396-44-0(Hazardous Substances Data)

Usage

Chemical Properties

White crystalline powder

Uses

2-Methyl-3-trifluoromethylaniline is a reactant in the synthesis of methylguanidine derivatives as prospective PET radioligands for the open channel of the NMDA receptor, linked to Alzheimer’s, epilepsy and other neurodegenerative disorders.

General Description

2-Methyl-3-(trifluoromethyl)aniline belongs to the trifluoromethylbenzene series.

InChI:InChI=1/C26H34F16O4/c1-5-9-15(10-6-2)17(43)45-13-19(27,28)21(31,32)23(35,36)25(39,40)26(41,42)24(37,38)22(33,34)20(29,30)14-46-18(44)16(11-7-3)12-8-4/h15-16H,5-14H2,1-4H3

Upstream product

• 62639-16-1 3-amino-2-methylthiomethylbenzotrifluoride 
• 7440-66-6 zinc 
• 121-50-6 3-amino-4-chlorobenzotrifluoride 
• 72763-19-0 6-chloro-2-(methylthio)methyl-3-trifluoromethylaniline 
• 6656-49-1 2-methyl-1-nitro-3-(trifluoromethyl)benzene 
• 98-16-8 3-trifluoromethylaniline 
• 1939-19-1 N-(3-(trifluoromethyl)phenyl)pivalamide 
• 56-23-5 tetrachloromethane 
• 95-53-4 o-toluidine 
• 150783-50-9 2-methyl-3-pivaloylaminobenzotrifluoride 

Downstream Products

• 851045-50-6 2-hydroxuimino-N-(2-methyl-3-trifluoromethyl-phenyl)-acetamide 
• 863111-55-1 1-iodo-2-methyl-3-(trifluoromethyl)benzene 
• 1000577-12-7 C₉H₆F₃NS 
• 374889-67-5 3-biphenyl-4-yl-5-ethyl-4-[2-methyl-3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole 
• 38677-85-9 flunixin 
• 61708-30-3 5-Chloro-N-(2-methyl-3-trifluoromethylphenyl)-anthranilic acid 
• 61708-31-4 5-nitro-N-(2-methyl-3-trifluoromethylphenyl)-anthranilic acid 
• 627531-79-7 4-cyano-2-methyl-3-trifluoromethylphenyl isocyanate 
• 573764-86-0 4-amino-3-methyl-2-trifluoromethylbenzonitrile 
• 947407-75-2 C₁₇H₁₈N₃SO₃F₃ 
• 947407-70-7 C₁₉H₂₀NSO₄F₃ 

Relevant articles and documents

Synthetic method for 2-methyl-3-trifluoromethylaniline

The invention discloses a synthetic method for 2-methyl-3-trifluoromethylaniline. The method comprises the following steps: with 2-chloro-3-trifluoromethylaniline as a raw material, introducing a methylthio group onto the 2-chloro-3-trifluoromethylaniline, carrying out a reaction with sulfonyl chloride so as to convert the methylthio group into a chloromethyl group, and carrying out neutralizationand hydrogenation so as to obtain a pure product namely the 2-methyl-3-trifluoromethylaniline. The synthetic method provided by the invention has a synthetic route which is described in the specification. The preparation method provided by the invention adopts more economical raw materials, has simple and convenient preparation process, is free of participation of toxic substances, reaches a yield of 70%, obtains a product with a purity higher than 99%, has good economic significance, and is applicable to large-scale industrial production.

Regioselective electrophilic trifluoromethylation of substituted anilines and derivatives in superacid

In a one pot procedure, treatment of chloro or methyl substituted acetanilides in HF/SbF5/CCl4 followed by addition of HF/pyridine yields trifluoromethyl derivatives with high regioselectivity.

Process for preparing Flunixin and intermediates thereof

Process for preparing a key intermediate, 2-methyl-3-trifluoromethylaniline (MTA) of Flunixin, as well as novel intermediates thereof are described.