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Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)(9CI) is a specific isomer of a fluoro-amino compound that belongs to the family of molecules structurally similar to benzylamines. It is characterized by the presence of two fluorine atoms, a secondary amine functional group (specifically a benzenemethanamine), and a methyl group. The molecule's spatial arrangement of atoms is designated as (alphaR), which is an important aspect of its stereochemistry.

771465-40-8

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771465-40-8 Usage

Uses

Used in Pharmaceutical Industry:
Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)(9CI) is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structural features, including the fluorine atoms and the secondary amine group, make it a valuable building block in the development of new drugs with potential therapeutic applications.
Used in Agricultural Industry:
In the agricultural sector, Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)(9CI) is used as a precursor in the synthesis of agrochemicals, such as pesticides and herbicides. The presence of fluorine atoms can enhance the biological activity and selectivity of these compounds, leading to more effective and environmentally friendly products.
Used in Material Science:
Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)(9CI) is employed as a key component in the development of advanced materials, such as polymers and coatings. The incorporation of fluorine atoms can improve the properties of these materials, including their chemical stability, thermal resistance, and surface properties, making them suitable for various applications in material science.

Check Digit Verification of cas no

The CAS Registry Mumber 771465-40-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,7,1,4,6 and 5 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 771465-40:
(8*7)+(7*7)+(6*1)+(5*4)+(4*6)+(3*5)+(2*4)+(1*0)=178
178 % 10 = 8
So 771465-40-8 is a valid CAS Registry Number.
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

771465-40-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (1R)-1-(3,5-difluorophenyl)ethanamine

1.2 Other means of identification

Product number -
Other names (R)-1-(3,5-Difluorophenyl)ethanamine hydrochloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:771465-40-8 SDS

771465-40-8Relevant academic research and scientific papers

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

Chen, Fei-Fei,Wang, Hui,Xu, Jian-He,Yu, Hui-Lei,Zheng, Yu-Cong

, (2020/03/10)

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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Paragraph 0288; 0291; 0292; 0887; 088; 0889, (2017/06/12)

A compound of formula (I): wherein the substituents are as defined in the description. Medicinal products containing the same which are useful in treating or preventing pathologies which are the result of activation of the RhoA/ROCK pathway and phosphorylation of the myosin light chain.

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

Mathew, Sam,Deepankumar, Kanagavel,Shin, Giyoung,Hong, Eun Young,Kim, Byung-Gee,Chung, Taeowan,Yun, Hyungdon

, p. 69257 - 69260 (2016/08/05)

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

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Page/Page column 158; 159, (2014/09/29)

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

Shin, Giyoung,Mathew, Sam,Shon, Minsu,Kim, Byung-Gee,Yun, Hyungdon

, p. 8629 - 8631 (2013/09/23)

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

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Page/Page column 69-70, (2009/10/22)

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.

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

Kanai, Masatomi,Yasumoto, Manabu,Kuriyama, Yokusu,Inomiya, Kenjin,Katsuhara, Yutaka,Higashiyama, Kimio,Ishii, Akihiro

, p. 1424 - 1425 (2007/10/03)

High regioselectivity in hydrogenolysis of bis(α-methylbenzyl)amines having a fluorine atom on aromatic ring results from retardation of hydrogenolytic cleavage at benzylic position of fluorine-substituted aromatic ring.

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

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Page column 31-32, (2008/06/13)

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

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