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Benzeneacetic acid, alpha-amino-4-methyl-, (alphaS)(9CI) is a chemical compound with the molecular formula C10H13NO2. It is a derivative of alpha-aminoacetic acid and belongs to the class of compounds known as amino acids. Benzeneacetic acid, alpha-amino-4-methyl-, (alphaS)(9CI) is commonly used in the synthesis of pharmaceuticals and organic compounds due to its versatile reactivity and functional groups. Additionally, it is known to possess biological activity and is being researched for its potential therapeutic properties. However, it is important to handle Benzeneacetic acid, alpha-amino-4-methyl-, (alphaS)- (9CI) with caution as it may pose risks to human health and the environment if not properly managed.

119615-71-3

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119615-71-3 Usage

Uses

Used in Pharmaceutical Industry:
Benzeneacetic acid, alpha-amino-4-methyl-, (alphaS)(9CI) is used as a key intermediate in the synthesis of various pharmaceuticals for its versatile reactivity and functional groups. It plays a crucial role in the development of new drugs and medicines.
Used in Organic Compounds Synthesis:
Benzeneacetic acid, alpha-amino-4-methyl-, (alphaS)(9CI) is used as a building block in the synthesis of various organic compounds, contributing to the creation of a wide range of chemical products.
Used in Research and Development:
Benzeneacetic acid, alpha-amino-4-methyl-, (alphaS)(9CI) is used in research and development for exploring its potential therapeutic properties and applications in the field of medicine. Its biological activity makes it a promising candidate for further investigation and development.

Check Digit Verification of cas no

The CAS Registry Mumber 119615-71-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,9,6,1 and 5 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 119615-71:
(8*1)+(7*1)+(6*9)+(5*6)+(4*1)+(3*5)+(2*7)+(1*1)=133
133 % 10 = 3
So 119615-71-3 is a valid CAS Registry Number.

119615-71-3SDS

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 (2S)-2-amino-2-(4-methylphenyl)acetic acid

1.2 Other means of identification

Product number -
Other names p-methylphenylalanine

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:119615-71-3 SDS

119615-71-3Relevant academic research and scientific papers

MANUFACTURING METHOD OF OPTICALLY ACTIVE AMINONITRILE COMPOUND

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Paragraph 0031, (2017/05/02)

PROBLEM TO BE SOLVED: To provide a manufacturing method of an optically active aminonitrile compound suitable for manufacturing optically active amino acid or the like. SOLUTION: An aminonitrile compound having an enantiomer excess ratio deviated to any one of S body and R body in absolute configuration is precipitated by reacting a primary amine compound such as benzhydryl amine, an aldehyde compound such as paratolualdehyde and hydrogen cyanide or a salt thereof in presence of base (DBU or the like) in a solvent. Optically active amino acid is obtained by hydrolyzing the resulting optically active aminonitrile compound. SELECTED DRAWING: Figure 1 COPYRIGHT: (C)2017,JPOandINPIT

Synthesis of Air- and Moisture-Stable, Storable Chiral Oxorhenium Complexes and Their Application as Catalysts for the Enantioselective Imine Reduction

Das, Braja Gopal,Nallagonda, Rajender,Dey, Dhananjay,Ghorai, Prasanta

, p. 12601 - 12605 (2015/09/01)

Air-/moisture-stable, crystalline, and storable chiral salicyloxazoline based oxorhenium(V) complexes have been synthesized and their catalytic application for the asymmetric reduction of ketimines using hydrosilane as hydride source is disclosed. A broad substrate scope, high yields, and excellent enantioselectivities (up to 99 %) are attained. Furthermore, the syntheses of enantiopure α-amino esters, γ- and δ-lactams, and isoindolinones have also been carried out using this methodology. Finally, the method has been applied to synthetic targets of pharmaceutical relevance, such as R-(+)-salsolidine and R-(+)-crispine A.

Enzymatic synthesis of chiral phenylalanine derivatives by a dynamic kinetic resolution of corresponding amide and nitrile substrates with a multi-enzyme system

Yasukawa, Kazuyuki,Asano, Yasuhisa

supporting information, p. 3327 - 3332 (2013/01/15)

Mutant α-amino-ε-caprolactam (ACL) racemase (L19V/L78T) from Achromobacter obae with improved substrate specificity toward phenylalaninamide was obtained by directed evolution. The mutant ACL racemase and thermostable mutant D-amino acid amidase (DaaA) from Ochrobactrum anthropi SV3 co-expressed in Escherichia coli (pACLmut/pDBFB40) were utilized for synthesis of (R)-phenylalanine and non-natural (R)-phenylalanine derivatives (4-OH, 4-F, 3-F, and 2-F-Phe) by dynamic kinetic resolution (DKR). Recombinant E. coli with DaaA and mutant ACL racemase genes catalyzed the synthesis of (R)-phenylalanine with 84% yield and 99% ee from (RS)-phenylalaninamide (400 mM) in 22 h. (R)-Tyrosine and 4-fluoro-(R)-phenylalanine were also efficiently synthesized from the corresponding amide compounds. We also co-expresed two genes encoding mutant ACL racemase and L-amino acid amidase from Brevundimonas diminuta in E. coli and performed the efficient production of various (S)-phenylalanine derivatives. Moreover, 2-aminophenylpropionitrile was converted to (R)-phenylalanine by DKR using a combination of the non-stereoselective nitrile hydratase from recombinamt E. coli and mutant ACL racemase and DaaA from E. coli encoding mutant ACL racemase and DaaA genes. Copyright

Highly enantioselective titanium-catalyzed cyanation of imines at room temperature

Seayad, Abdul Majeed,Ramalingam, Balamurugan,Yoshinaga, Kazuhiko,Nagata, Takushi,Chai, Christina L. L.

supporting information; experimental part, p. 264 - 267 (2010/03/24)

(Figure presented) A highly active and enantioselective titanium-catalyzed cyanatlon of imines at room temperature Is described. The catalyst used Is a partially hydrolyzed titanium alkoxide (PHTA) precatalyst together with a readily available N-salicyl-β-aminoalcohol ligand. Up to 98% ee was obtained with quantitative yields In 15 min of reaction time using 5 mol % of the catalyst. Various N-protecting groups such as benzyl, benzhydryl, Boc, and PMP are tolerated.

Practical and convenient enzymatic synthesis of enantiopure α-amino acids and amides

Wang, Mei-Xiang,Lin, Shuang-Jun

, p. 6542 - 6545 (2007/10/03)

Catalyzed by the nitrile hydratase and the amidease in Rhodococcus sp. AJ270 cells under very mild conditions, a number of α-aryl- and α-alkyl-substituted DL-glycine nitriles 1 rapidly underwent a highly enantioselective hydrolysis to afford D-(-)-α-amino acid amides 2 and L-(+)-α-amino acids 3 in high yields with excellent enantiomeric excesses in most cases. The overall enantioselectivity of the biotransformations of nitriles originated from the combined effects of a high L-enantioselective amidase and a low enantioselective nitrile hydratase. The influence of the substrates on both reaction efficiency and enantioselectivity was also discussed in terms of steric and electronic effects. Coupled with chemical hydrolysis of D-(-)-α-phenylglycine amide, biotransformation of DL-phenylglycine nitrile was applied in practical scale to produce both D- and L-phenylglycines in high optical purity.

Highly efficient and enantioselective synthesis of L-arylglycines and D-arylglycine amides from biotransformations of nitriles

Wang, Mei-Xiang,Lin, Shuang-Jun

, p. 6925 - 6927 (2007/10/03)

Under very mild conditions, the Rhodococcus sp. AJ270-catalysed biotransformation of arylglycine nitriles 1, prepared easily from the reaction of substituted benzaldehydes, ammonium chloride and potassium cyanide, proceeded efficiently to produce optically active D-arylglycine amides 2 and L-arylglycines 3 in excellent yields with enantiomeric excesses higher than 99%.

A practical asymmetric synthesis of homochiral α-arylglycines

Mellin-Morliere, Christelle,Aitken, David J.,Bull, Steven D.,Davies, Stephen G.,Husson, Henri-Philippe

, p. 149 - 155 (2007/10/03)

Enantioselective reduction of a series of substituted aryl trichloromethyl ketones with the CBS-catecholborane reagent afforded homochiral aryl trichloromethyl carbinols which have been elaborated to give homochiral α-arylglycines in high e.e.

Syntheses of optically active α-amino nitrites by asymmetric transformation of the second kind using a principle of O. Dimroth

Hassan, Nasser A.,Bayer, Erwin,Jochims, Johannes C.

, p. 3747 - 3757 (2007/10/03)

A mixture of solids As and Bs in equilibrium with the dissolved compounds A1 and B1 is transformed completely into one pure solid, say Bs, if the dissolved compounds A1?B1 are equilibrating in solution. This is applied to transform 1:1 mixtures of solid diastereomeric amygdalates (2-hydroxy-2-phenylacetates; mandelates) (R,R)-3 + (S,R)-3 prepared from racemic α-amino nitriles (R,S)-1 with (R)-mandelic acid 2 into stereochemically pure single diastereomers (R,R)-3, or (S,R)-3 (de > 97%) ('asymmetric transformation of the second kind by application of Dimroth's principle'). Decomposition of the amygdalates (R,R)-3, or (S,R)-3, with aqueous base affords the enantiomerically pure α-amino nitriles (A)-1, or (S)-1 (ten examples). The chiral auxiliary (R)-mandelic acid is recovered almost quantitatively. The optically active α-amino nitriles are hydrolyzed to amides 6, and further to α-N-alkylamino acids 7. N-Benzylamino acids 7 are hydrogenated to α-amino acids 8. Some of the optically active α-amino nitriles 1 are reduced to optically active 1,2-diamines 9. In most cases, absolute configurations could be assigned by comparison of the specific rotations observed with those of authentic compounds.

ASYMMETRIC INDUCTIVE SYNTHESIS OF α-AMINOARYLACETIC ACIDS IN CHIRAL MICELLAR SYSTEM

Zhang, Yongmin,Li, Weixing

, p. 1685 - 1690 (2007/10/02)

In the micellar solution of chiral surfactant N-hexadecyl-N-methylephedrine bromide, seven α-aminoarylacetic acids were synthesized from corresponding aldehydes, the e.e.percent being about 28percent.

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