235106-09-9

Basic information

• Product Name: 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE
• Synonyms: RARECHEM AL BW 0875;3-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE;3-Fluoro-4-(trifluoromethyl)benzylamine 97%;(3-fluoro-4-(trifluoromethyl)phenyl)methanamine
• CAS NO: 235106-09-9
• Molecular Formula: C₈H₇F₄N
• Molecular Weight: 193.14
• EINECS: -0
• Mol File: 235106-09-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 195.1 °C at 760 mmHg
• Flash Point: 85 °C
• Appearance: Yellow or colorless liquid
• Density: 1.312 g/cm³
• Vapor Pressure: 0.427mmHg at 25°C
• Refractive Index: 1.453
• Storage Temp.: Store under nitrogen
• PKA: 8.34±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE(235106-09-9)
• EPA Substance Registry System: 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE(235106-09-9)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39
• RIDADR: 2735
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 235106-09-9(Hazardous Substances Data)

Usage

General Description

3-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE is a chemical compound containing a fluoro and trifluoromethyl group attached to a benzene ring. It is classified as an amine due to the presence of a primary amino group. 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE is commonly used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. Its unique chemical structure and properties make it valuable in the development of new drugs and materials. Additionally, 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYLAMINE is also utilized in research laboratories for its potential applications in organic synthesis and medicinal chemistry.

InChI:InChI=1/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2

Upstream product

• 238754-67-1 2-(3-fluoro-4-(trifluoromethyl)phenyl)acetic acid 

Downstream Products

• 876296-06-9 2-[3-(3-fluoro-4-trifluoromethyl-benzylcarbamoyl)-4-methoxy-benzyl]-butyric acid ethyl ester 
• 581811-87-2 N-[3-fluoro-4-(trifluoromethyl)benzyl]-2-(3-methyl-5-isoquinolinyl)acetamide 
• 581812-08-0 N-[3-fluoro-4-(trifluoromethyl)benzyl]-2-(5-isoquinolinyl)propanamide 
• 581812-28-4 N-[3-fluoro-4-(trifluoromethyl)benzyl]-2-(5-isoquinolinyl)butanamide 
• 581812-37-5 N-(4-tert-butyl-3-fluorobenzyl)-2-hydroxy-2-(5-isoquinolinyl)acetamide 
• 1263104-49-9 (S)-1-[(S)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-[3-fluoro-4-(trifluoromethyl)benzyl]-2-propen-1-amine 
• 1263104-41-1 (S)-1-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[3-fluoro-4-(trifluoromethyl)benzyl]prop-2-en-1-amine 
• 1056417-48-1 5-(3,5-dimethylphenyl)-N-[3-fluoro-4-(trifluoromethyl)benzyl]-2,3'-bipyridine-3-carboxamide 
• 581811-71-4 N-(3-amino-5-isoquinolinyl)-N'-[3-fluoro-4-(trifluoromethyl)benzyl]urea 
• 581811-65-6 N-(1,3-dimethyl-5-isoquinolinyl)-N'-[3-fluoro-4-(trifluoromethyl)benzyl]urea 
• 581811-47-4 N-[3-fluoro-4-(trifluoromethyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea 

Relevant articles and documents

Design, Synthesis, and in vitro Evaluation of P2X7 Antagonists

The P2X7 receptor is a promising target for the treatment of various diseases due to its significant role in inflammation and immune cell signaling. This work describes the design, synthesis, and in vitro evaluation of a series of novel derivatives bearing diverse scaffolds as potent P2X7 antagonists. Our approach was based on structural modifications of reported (adamantan-1-yl)methylbenzamides able to inhibit the receptor activation. The adamantane moieties and the amide bond were replaced, and the replacements were evaluated by a ligand-based pharmacophore model. The antagonistic potency of the synthesized analogues was assessed by two-electrode voltage clamp experiments, using Xenopus laevis oocytes that express the human P2X7 receptor. SAR studies suggested that the replacement of the adamantane ring by an aryl-cyclohexyl moiety afforded the most potent antagonists against the activation of the P2X7 cation channel, with analogue 2-chloro-N-[1-(3-(nitrooxymethyl)phenyl)cyclohexyl)methyl]benzamide (56) exhibiting the best potency with an IC50 value of 0.39 μΜ.