771465-40-8

Basic information

• Product Name: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)
• Synonyms: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI);Benzenemethanamine, 3,5-difluoro-α-methyl-, (αR)-;Benzenemethanamine, 3,5-difluoro-a-methyl-, (aR)-;(R)-1-(3,5-Difluorophenyl)ethanamine hydrochloride;(1R)-1-(3,5-Difluorophenyl)ethylamine;(R)-3,5-Difluoro-alpha-methylbenzylamine;Benzenemethanamine, 3,5-difluoro-alpha-methyl-;(R)-1-(3,5-Difluorophenyl)ethylamine
• CAS NO: 771465-40-8
• Molecular Formula: C8H9F2N
• Molecular Weight: 157.1605664
• Product Categories: HALIDE
• Mol File: 771465-40-8.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 175.4±25.0 °C(Predicted)
• Appearance: /
• Density: 1.163±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 8.40±0.10(Predicted)
• CAS DataBase Reference: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)(771465-40-8)
• EPA Substance Registry System: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)(771465-40-8)

Safety Data

• Hazardous Substances Data: 771465-40-8(Hazardous Substances Data)

Usage

General Description

The chemical name "Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)" represents a specific isomer of a fluoro-amino compound. Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI) belongs to the family of molecules that are structurally similar to benzylamines, which are widely used in the fields of medicine, agriculture, and material science. In addition to its two fluorine atoms, it also includes a secondary amine functional group (specifically a benzenemethanamine) and a methyl group. Its exact purpose or usage may depend on the context or specific reactions it is involved in. As the name suggests, it has a specific stereoisomer form designated as (alphaR), signifying the spatial arrangement of atoms in the molecule.

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

Upstream product

• 123577-99-1 3′,5′-difluoroacetophenone 
• 872181-59-4 rac-1-(3,5-difluorophenyl)ethan-1-ol 
• 117358-52-8 1-ethyl-3,5-difluorobenzene 
• 321318-29-0 1-(3,5-difluorophenyl)ethylamine 
• 444643-14-5 [(S)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine 
• 444643-15-6 [(R)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine 

Downstream Products

• 1189569-77-4 (8S)-8-(3,5-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decan-10-one 
• 957122-12-2 lithium [(3R)-1-(tert-butoxycarbonyl)-3-(3,5-difluorophenyl)-3-methyl-5-oxo-1,4-diazaspiro[5.5]undec-4-yl]acetate 
• 957122-20-2 tert-butyl (3R)-3-(3,5-difluorophenyl)-4-(2-ethoxy-2-oxoethyl)-3-methyl-5-oxo-1,4-diazaspiro[5.5]undecane-1-carboxylate 
• 957122-16-6 methyl 1-{[2-[(tert-butoxycarbonyl)amino]-2-(3,5-difluorophenyl)propyl]amino}cyclohexane-1-carboxylate 
• 957122-19-9 tert-butyl (3R)-3-(3,5-difluorophenyl)-3-methyl-5-oxo-1,4-diazaspiro[5.5]undecane-1-carboxylate 
• 957122-17-7 methyl 1-{[2-amino-2-(3,5-difluorophenyl)propyl]amino}cyclohexane-1-carboxylate 
• 957122-18-8 (3R)-3-(3,5-difluorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecan-5-one 
• 1189569-79-6 (3S)-3-(3,5-difluorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecan-5-one 

Relevant articles and documents

Enantioselective Bioamination of Aromatic Alkanes Using Ammonia: A Multienzymatic Cascade Approach

Chiral amines are common drug building blocks and important active pharmaceutical ingredients. Preparing these functionalized compounds from simple materials, such as alkanes, is of great interest. We recently developed an artificial bioamination cascade for the C?H amination of cyclic alkanes by combining P450 monooxygenase, alcohol dehydrogenase, and amine dehydrogenase. Herein, this system has been extended to the synthesis of chiral aromatic amines. In the first hydroxylation step, process optimization increased the conversion to 77 %. Two stereoselectively complementary alcohol dehydrogenases and an amine dehydrogenase were selected for the bioconversion of aromatic hydrocarbons to amines. The amination reaction was optimized with respect to cofactor addition and enzyme dosage. Isopropanol was added to decrease ketone intermediate accumulation in the amination step, which further enhanced the overall conversion. This cascade system converted a panel of hydrocarbon substrates into the corresponding amines with excellent optical purity (>99 % ee) and moderate conversion ratios (13–53 %).

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.

One-pot one-step deracemization of amines using ω-transaminases

In this study, we developed a one-pot one-step deracemization method for the production of various enantiomerically pure amines using two opposite enantioselective ω-TAs. Using this method, various aromatic amines were successfully converted to their (R)-forms (>99%) with good conversion.