321318-17-6

Basic information

• Product Name: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI)
• Synonyms: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI);Benzenemethanamine, 3,4-difluoro-α-methyl-, (αS)-;(1S)-1-(3,4-Difluorophenyl)ethanamine;Benzenemethanamine, 3,4-difluoro-.alpha.-methyl-, (.alpha.S)-;(S)-1-(3,4-Difluorophenyl)ethanaMine hydrochloride;(S)-1-(3,4-DIFLUOROPHENYL)ETHAN-1-AMINE HCL;(S)-1-(3,4-Difluoro-phenyl)-ethylamine;(S)-1-(3,4-difluorophenyl)ethan-1-amine hydrochloride
• CAS NO: 321318-17-6
• Molecular Formula: C₈H₉F₂N
• Molecular Weight: 157.1605664
• Product Categories: HALIDE
• Mol File: 321318-17-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 186.1 °C at 760 mmHg
• Flash Point: 81.4 °C
• Appearance: /
• Density: 1.163 g/cm³
• Vapor Pressure: 0.676mmHg at 25°C
• Refractive Index: 1.493
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 8.66±0.10(Predicted)
• CAS DataBase Reference: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI)(321318-17-6)
• EPA Substance Registry System: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI)(321318-17-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 321318-17-6(Hazardous Substances Data)

Usage

General Description

Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)- (9CI) is a chemical compound that belongs to the class of organic compounds known as phenylmethylamines. It is a chiral compound with a specific spatial arrangement of atoms, indicated by the notation (alphaS)-. The compound contains a benzene ring with a methanamine group attached at the 3 and 4 positions, as well as two fluorine atoms and a methyl group. This chemical may have various industrial and research applications, and its specific properties and uses would depend on the context in which it is being employed.

InChI:InChI=1/C8H9F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m0/s1

Upstream product

• 276875-21-9 1-(3,4-difluorophenyl)ethanamine 
• 369-33-5 3',4'-difluoroacetophenone 
• 1434602-38-6 (E)-1-(3,4-difluorophenyl)ethanone O-benzyloxime 
• 1434602-13-7 (E)-1-(3,4-difluorophenyl)ethan-1-one oxime 

Downstream Products

• 1434602-62-6 (S)-N-[1-(3,4-difluorophenyl)ethyl]acetamide 

Relevant articles and documents

Deracemization of Racemic Amines to Enantiopure (R)- and (S)-amines by Biocatalytic Cascade Employing ω-Transaminase and Amine Dehydrogenase

A one-pot deracemization strategy for α-chiral amines is reported involving an enantioselective deamination to the corresponding ketone followed by a stereoselective amination by enantiocomplementary biocatalysts. Notably, this cascade employing a ω-transaminase and amine dehydrogenase enabled the access to both (R)-and (S)-amine products, just by controlling the directions of the reactions catalyzed by them. A wide range of (R)-and (S)-amines was obtained with excellent conversions (>80 %) and enantiomeric excess (>99 % ee). Finally, preparative scale syntheses led to obtain enantiopure (R)- and (S)-13 with the isolated yields of 53 and 75 %, respectively.

3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH

The invention is directed to a formula (I), or a pharmamceutically acceptable salt thereof, wherein R1, R2a, R2b and R3-R7 are herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.