321318-15-4

Basic information

• Product Name: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI)
• Synonyms: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI);Benzenemethanamine, 3,4-difluoro-α-methyl-, (αR)-;Benzenemethanamine, 3,4-difluoro-a-methyl-, (aR)-;(R)-1-(3,4-Difluorophenyl)ethanaMine hydrochloride;BenzeneMethanaMine,3,4-difluoro-a-Methyl-,(R)-
• CAS NO: 321318-15-4
• Molecular Formula: C8H9F2N
• Molecular Weight: 157.1605664
• Product Categories: HALIDE
• Mol File: 321318-15-4.mol
• Article Data: 8

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-, (alphaR)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI)(321318-15-4)
• EPA Substance Registry System: Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI)(321318-15-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 321318-15-4(Hazardous Substances Data)

Usage

General Description

Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI) is a chemical compound with the molecular formula C8H10F2N and a systematic name of (R)-3,4-difluoro-N-methylbenzylamine. It is an organic compound with a chiral carbon atom, meaning it exists as two enantiomers, with only the (alphaR) enantiomer being described here. This chemical compound is used in the synthesis of various pharmaceuticals and agrochemicals, and it has potential applications in the field of medicinal chemistry and drug discovery due to its unique structure and properties. Additionally, its use as a reagent in organic synthesis makes it an important compound in the field of chemical research and development.

InChI:InChI=1/C8H9F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m1/s1

Upstream product

• 369-33-5 3',4'-difluoroacetophenone 
• 276875-21-9 1-(3,4-difluorophenyl)ethanamine 
• 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 
• 276875-21-9 C₈H₉F₂N 
• 369-33-5 3',4'-difluoroacetophenone 
• 321318-17-6 (S)-1-(3,4-difluorophenyl)ethanamine 

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.

Bioinspired organocatalytic aerobic C-H oxidation of amines with an ortho -quinone catalyst

A simple bioinspired ortho-quinone catalyst for the aerobic oxidative dehydrogenation of amines to imines is reported. Without any metal cocatalysts, the identified optimal ortho-quinone catalyst enables the oxidations of α-branched primary amines and cyclic secondary amines. Mechanistic studies have disclosed the origins of different performances of ortho-quinone vs para-quinone in biomimetic amine oxidations.

PROCESS FOR THE PREPARATION OF CHIRAL AMINES FROM PROCHIRAL KETONES

There is provided a method for the preparation of an enantiomerically enriched amine from a prochiral ketone.