127852-21-5

Basic information

• Product Name: (S)-1-[3-(Trifluoromethyl)phenyl]ethylamine
• Synonyms: (S)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE;(S)-1-(3-(TRIFLUOROMETHYL)PHENYL)ETHANAMINE;S-MTF-PEM;Benzenemethanamine, α-methyl-3-(trifluoromethyl)-, (αS)-;(1S)-1-[3-(Trifluoromethyl)phenyl]ethylamine;(S)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE-HCl;(S)-1-[3-(TrifluoroMethyl)phenyl]ethylaMine hydrochloride;(S)-1-[3-(Trifluoromethyl)phenyl]ethylamine (S)-α-(m-(trifluoromethyl)phenyl)ethylamine
• CAS NO: 127852-21-5
• Molecular Formula: C₉H₁₀F₃N
• Molecular Weight: 189.18
• Mol File: 127852-21-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 184.1 °C at 760 mmHg
• Flash Point: 72.2 °C
• Appearance: /
• Density: 1.18 g/cm³
• Vapor Pressure: 0.746mmHg at 25°C
• Refractive Index: 1.465
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 8.72±0.10(Predicted)
• CAS DataBase Reference: (S)-1-[3-(Trifluoromethyl)phenyl]ethylamine(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-1-[3-(Trifluoromethyl)phenyl]ethylamine(127852-21-5)
• EPA Substance Registry System: (S)-1-[3-(Trifluoromethyl)phenyl]ethylamine(127852-21-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 127852-21-5(Hazardous Substances Data)

Usage

General Description

(S)-1-[3-(Trifluoromethyl)phenyl]ethylamine is a chemical compound with the molecular formula C10H12F3N. It is an amine compound, which means it contains a nitrogen atom bonded to at least one carbon atom and is derived from ammonia. The compound has a trifluoromethyl group attached to a phenyl ring, as well as an ethyl group attached to the amine. It is commonly used in organic synthesis and pharmaceutical research as a building block for creating more complex molecules. Additionally, it has the potential to be used as a precursor in the development of new drugs and agrochemicals. Overall, (S)-1-[3-(Trifluoromethyl)phenyl]ethylamine is an important chemical for the synthesis of various compounds with potential applications in the pharmaceutical and agricultural industries.

InChI:InChI=1/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1

Upstream product

• 349-76-8 3'-(trifluoromethyl)acetophenone 
• 454-91-1 1-(3-trifluoromethylphenyl)ethanol 
• 437762-10-2 ((S)-1-Phenyl-ethyl)-[(S)-1-(3-trifluoromethyl-phenyl)-ethyl]-amine 
• 444643-04-3 ((S)-1-Phenyl-ethyl)-[(R)-1-(3-trifluoromethyl-phenyl)-ethyl]-amine 
• 127733-36-2 3'-trifluoromethylacetophenone oxime O-methyl ether 

Downstream Products

• 943779-15-5 C₃₇H₃₇F₃N₆O₃S 
• 1001088-62-5 (S,E)-3-(6-bromopyridin-2-yl)-2-cyano-N-(1-(3-(trifluoromethyl)phenyl)ethyl)acrylamide 
• 1194056-10-4 5-methyl-1H-pyrazole-4-carboxylic acid [(S)-1-(3-trifluoromethyl-phenyl)-ethyl]-amide 
• 911068-21-8 3-[2-oxo-3-(2-oxo-4-phenyl-oxazolidin-3-yl)-4-styryl-azetidin-1-yl]-N-[1-(3-trifluoromethyl-phenyl)-ethyl]-succinamic acid tert-butyl ester 
• 911068-31-0 3-[2-oxo-3-(2-oxo-4-phenyl-oxazolidin-3-yl)-4-styryl-azetidin-1-yl]-N-[1-(3-trifluoromethyl-phenyl)-ethyl]-succinamic acid 
• 911069-04-0 D-aspartic acid β-tert-butyl ester α-{[(S)-1-(trifluoromethyl)phenyl]ethyl}amide 
• 927175-25-5 5-isopropyl-2-((S)-1-(3-(trifluoromethyl)phenyl)ethylamino)thiazol-4(5H)-one 
• 927175-24-4 (S)-1-(1-(3-(trifluoromethyl)phenyl)ethyl)thiourea 
• 911069-01-7 N-[(benzyloxy)carbonyl]-D-aspartic acid β-tert-butyl ester α-{[(S)-1-(trifluoromethyl)phenyl]ethyl}amide 

Relevant articles and documents

Stereoselective amination of racemic sec-alcohols through sequential application of laccases and transaminases

A one-pot/two-step bienzymatic asymmetric amination of secondary alcohols is disclosed. The approach is based on a sequential strategy involving the use of a laccase/TEMPO catalytic system for the oxidation of alcohols into ketone intermediates, and their following transformation into optically enriched amines by using transaminases. Individual optimizations of the oxidation and biotransamination reactions have been carried out, studying later their applicability in a concurrent process. Therefore, 17 racemic (hetero) aromatic sec-alcohols with different substitutions in the aromatic ring have been converted into enantioenriched amines with good to excellent selectivities (90-99% ee) and conversion values (67-99%). The scalability of the process was also demonstrated when two different amine donors were used in the transamination step, such as isopropylamine and cis-2-buten-1,4-diamine. Satisfyingly, both sacrificial amine donors can shift the equilibrium toward the amine formation, leading to the corresponding isolated enantioenriched amines with good to excellent results.

Highly regioselective hydrogenolysis of bis(α-methylbenzyl)amine derivatives affected by the trifluoromethyl substituent on the aromatic ring

(Matrix presented) The highly regioselective hydrogenolysis of bis(α-methylbenzyl)amine derivatives proceeded with influence not from the electronic effect but from the steric effect of the trifluoromethyl substituent on the aromatic ring to provide a practical asymmetric synthesis of trifluoromethyl-substituted α-phenylethylamines.