106877-29-6

Basic information

• Product Name: 5-METHYL-2-(TRIFLUOROMETHYL)ANILINE
• Synonyms: 5-METHYL-2-(TRIFLUOROMETHYL)ANILINE
• CAS NO: 106877-29-6
• Molecular Formula: C₈H₈F₃N
• Molecular Weight: 175.15
• Mol File: 106877-29-6.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 207.2°C at 760 mmHg
• Flash Point: 86.1°C
• Appearance: /
• Density: 1.237g/cm³
• Vapor Pressure: 0.228mmHg at 25°C
• Refractive Index: 1.481
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 5-METHYL-2-(TRIFLUOROMETHYL)ANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-2-(TRIFLUOROMETHYL)ANILINE(106877-29-6)
• EPA Substance Registry System: 5-METHYL-2-(TRIFLUOROMETHYL)ANILINE(106877-29-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39
• RIDADR: 2810
• HazardClass: 6.1
• Hazardous Substances Data: 106877-29-6(Hazardous Substances Data)

Usage

General Description

5-Methyl-2-(trifluoromethyl)aniline, also known as 3-amino-5-methylbenzotrifluoride, is a chemical compound with the formula C9H9F3N. It is a pale yellow liquid that is used as an intermediate in the production of various pharmaceuticals and agrochemicals. 5-METHYL-2-(TRIFLUOROMETHYL)ANILINE is primarily used as a building block in the synthesis of various organic chemicals, including dyes, pigments, and polymers. It is also used as a reagent in the production of pharmaceutical and agrochemical products. 5-Methyl-2-(trifluoromethyl)aniline is handled and stored with proper care due to its potential health hazards and should be used in a well-ventilated area with proper personal protective equipment.

InChI:InChI=1/C8H8F3N/c1-5-2-3-6(7(12)4-5)8(9,10)11/h2-4H,12H2,1H3

Upstream product

• 75-63-8 Bromotrifluoromethane 
• 108-44-1 1-amino-3-methylbenzene 
• 154057-13-3 4-methyl-2-nitro-1-(trifluoromethyl)benzene 
• 27329-27-7 4-methyl-2-nitrobenzoic acid 
• 5326-34-1 4-Bromo-3-nitrotoluene 

Relevant articles and documents

Coordinating Activation Strategy-Induced Selective C?H Trifluoromethylation of Anilines

A simple protocol for the synthesis of 2-(trifluoromethyl)aniline derivatives through a coordinating activation strategy was developed. The reaction showed good reactivity and gave the target products in moderate to good yields. Pleasingly, the directing group could be recovered in excellent yield. Furthermore, this strategy allowed efficient access to the synthesis of floctafenine. A single-electron-transfer mechanism was proposed to be responsible for this trifluoromethylation reaction.

Deoxofluorination of (Hetero)aromatic Acids

Diverse trifluoromethyl-substituted compounds were synthesized by deoxofluorination of cinnamic and (hetero)aromatic carboxylic acids with sulfur tetrafluoride. The obtained products were used as starting materials in the preparation of novel fluorinated amino acids, anilines, and aliphatic amines - valuable building blocks for medicinal chemistry and agrochemistry.

Discovery of 2-arylamino-4-(1-methyl-3-isopropylsulfonyl-4-pyrazol-amino)pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors

Abstract A new series of 2,4-diamino pyrimidine derivatives with a sulfone-substituted pyrazole right side-chain were discovered as potent anaplastic lymphoma kinase inhibitors. Structure-activity relationship of the left side-chain on phenyl substitutions were explored which delivered many potent ALK inhibitors. Among them, 29a showed favorable pharmacokinetic profiles in rats and dogs together with significant antitumor efficacy in EML4-ALK fusion xenograft model. Graphical abstract