444643-16-7

Basic information

• Product Name: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- (9CI)
• Synonyms: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- (9CI);Benzenemethanamine, 3,5-difluoro-α-methyl-, (αS)-;Benzenemethanamine, 3,5-difluoro-a-methyl-, (aS)-;(S)-1-(3,5-Difluorophenyl)ethanamine hydrochloride;(S)-1-(3,5-Difluorophenyl)ethylamine;Benzenemethanamine, 3,5-difluoro-α-methyl-, (alphaS)- (9CI);(S)-1-(3,5-difluorophenyl)ethan-1-amine;(1S)-1-(3,5-difluorophenyl)ethan-1-amine hydrochloride
• CAS NO: 444643-16-7
• Molecular Formula: C8H9F2N
• Molecular Weight: 157.1605664
• Product Categories: HALIDE
• Mol File: 444643-16-7.mol

Chemical Properties

• Appearance: /
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- (9CI)(444643-16-7)
• EPA Substance Registry System: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- (9CI)(444643-16-7)

Safety Data

• Hazardous Substances Data: 444643-16-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) is used as an intermediate in the synthesis of optically active fluorine-substituted α-phenylethylamines. These compounds are of significant interest in the pharmaceutical industry due to their potential applications in the development of new drugs with improved pharmacological properties.
Used in Chemical Research:
In the field of chemical research, Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) is utilized in the study of practical synthesis methods. Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) plays a crucial role in the development of efficient and selective synthetic routes to access optically active fluorine-substituted α-phenylethylamines, which are important building blocks for various pharmaceutical applications.
Used in Drug Synthesis:
Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)(9CI) is used as a key component in the synthesis of various drugs, particularly those targeting specific receptors or enzymes in the body. The presence of fluorine atoms and the alpha-methyl group in the molecule can significantly influence the biological activity and pharmacokinetic properties of the resulting drug candidates.

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

• 321318-29-0 (R)-1-(3,5-difluorophenyl)ethan-1-amine 
• 123577-99-1 3′,5′-difluoroacetophenone 
• 1189569-34-3 (2R)-5-{(1E)-3-[2-(3,5-difluorophenyl)-5-(fluoromethyl)-2,4,5-trimethyl-6-oxopiperazin-1-yl]prop-1-en-1-yl}-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one 
• 1189569-92-3 methyl N-{2-[(tert-butoxycarbonyl)amino]-2-(3,5-difluorophenyl)propyl}-O-[tert-butyl(dimethyl)silyl]-2-methylserinate 
• 1189569-93-4 propan-2-yl N-{2-[(tert-butoxycarbonyl)amino]-2-(3,5-difluorophenyl)propyl}-O-[tert-butyl(dimethyl)silyl]-2-methylserinate 
• 1189569-77-4 (8S)-8-(3,5-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decan-10-one 
• 1189569-94-5 6-(3,5-difluorophenyl)-3-(hydroxymethyl)-3,6-dimethylpiperazin-2-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 %).

ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

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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.

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.

MONOCYCLIC CGRP RECEPTOR ANTAGONISTS

The present invention is directed to compounds of the formula (I) : (wherein variables A1, A2, A3, A4, A5, A6, A7, A8, G1, G2, G3, G4, J, Q, Ea, Eb, Ec, R6, R7, RPG and Y are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same

An optically active 1-(fluoro- or trifluoromethyl-substituted phenyl)ethylamine is produced with high optical purity and in an industrially simple and efficient manner by asymmetrically reducing an optically active imine, obtained by dehydration and conde

Practical synthesis of optically active fluorine-substituted α-phenylethylamines by retardation of hydrogenolytic cleavage at benzylic position

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