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

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

Uses

Since the provided materials do not specify the exact applications of Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)(9CI), I will list potential uses based on its chemical properties and typical applications of similar compounds:
Used in Pharmaceutical Industry:
Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)(9CI) can be used as an intermediate in the synthesis of various pharmaceutical compounds due to its unique structure and functional groups. Its chiral nature may also be exploited for the development of enantiomerically pure drugs with improved efficacy and reduced side effects.
Used in Chemical Research:
Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)(9CI) can be utilized in chemical research for studying the effects of fluorine substitution and chirality on the reactivity, stability, and properties of phenylmethylamines. It may also serve as a building block for the synthesis of more complex organic molecules with potential applications in various fields.
Used in Material Science:
The unique structure and properties of Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaS)(9CI) may find applications in the development of novel materials with specific properties, such as fluorescence, conductivity, or catalytic activity. Its potential use in material science would depend on further research and exploration of its properties.

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.

Identification of novel thermostable ω-transaminase and its application for enzymatic synthesis of chiral amines at high temperature

A novel thermostable ω-transaminase from Thermomicrobium roseum which showed broad substrate specificity and high enantioselectivity was identified, expressed and biochemically characterized. The advantage of this enzyme to remove volatile inhibitory by-products was demonstrated by performing asymmetric synthesis and kinetic resolution at high temperature.

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.

Asymmetric synthesis of nonracemic primary amines via spiroborate-catalyzed reduction of pure (E)- and (Z)-O-benzyloximes: Applications toward the synthesis of calcimimetic agents

Highly enantiopure (1-aryl)- and (1-naphthyl)-1-ethylamines were synthesized by the borane-mediated reduction of single-isomeric (E)- and (Z)-O-benzyloxime ethers using the stable spiroborate ester derived from (S)-diphenyl valinol and ethylene glycol as the chiral catalyst. Primary (R)-arylethylamines were prepared by the reduction of pure (Z)-ethanone oxime ethers in up to 99% ee using 15% of catalyst. Two convenient and facile approaches to the synthesis of new and known calcimimetic analogues employing enantiopure (1-naphthalen-1-yl)ethylamine as chiral precursor are described.