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L-2-THIENYLALANINE, also known as 3-(2-Thienyl)-L-alanine, is an organic compound with the chemical formula C7H7NO2S. It is characterized by its off-white crystalline appearance and is derived from the amino acid L-alanine with a thiophene ring attached to the side chain. This unique structure endows L-2-THIENYLALANINE with a range of applications across different industries.

22951-96-8

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22951-96-8 Usage

Uses

Used in Agrochemical Industry:
L-2-THIENYLALANINE is used as an active ingredient for the development of novel agrochemicals, specifically pesticides and herbicides. Its unique chemical structure allows for the creation of compounds that can effectively target and control pests and weeds, enhancing crop protection and yield.
Used in Pharmaceutical Industry:
L-2-THIENYLALANINE serves as a key building block in the synthesis of various pharmaceutical compounds. Its incorporation into drug molecules can potentially improve their pharmacological properties, such as bioavailability, stability, and target specificity. This makes it a valuable component in the development of new drugs for the treatment of various diseases and conditions.
Used in Dyestuff Industry:
L-2-THIENYLALANINE is utilized as an intermediate in the production of synthetic dyes and pigments. Its thiophene ring contributes to the color and stability of the resulting dyes, making it a valuable component in the creation of vibrant and long-lasting colorants for various applications, including textiles, plastics, and printing inks.

Check Digit Verification of cas no

The CAS Registry Mumber 22951-96-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,2,9,5 and 1 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 22951-96:
(7*2)+(6*2)+(5*9)+(4*5)+(3*1)+(2*9)+(1*6)=118
118 % 10 = 8
So 22951-96-8 is a valid CAS Registry Number.
InChI:InChI=1/C7H9NO2S/c1-7(8,6(9)10)5-3-2-4-11-5/h2-4H,8H2,1H3,(H,9,10)/t7-/m1/s1

22951-96-8 Well-known Company Product Price

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  • Alfa Aesar

  • (H63316)  3-(2-Thienyl)-L-alanine, 95%   

  • 22951-96-8

  • 250mg

  • 500.0CNY

  • Detail
  • Alfa Aesar

  • (H63316)  3-(2-Thienyl)-L-alanine, 95%   

  • 22951-96-8

  • 1g

  • 1499.0CNY

  • Detail
  • Alfa Aesar

  • (H63316)  3-(2-Thienyl)-L-alanine, 95%   

  • 22951-96-8

  • 5g

  • 5998.0CNY

  • Detail
  • Aldrich

  • (88424)  3-(2-Thienyl)-L-alanine  ≥98.0% (TLC)

  • 22951-96-8

  • 88424-50MG

  • 723.06CNY

  • Detail

22951-96-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name L-2-THIENYLALANINE

1.2 Other means of identification

Product number -
Other names B-2-DL-THIENYLALANINE

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:22951-96-8 SDS

22951-96-8Relevant academic research and scientific papers

Artificial Biocatalytic Cascade with Three Enzymes in One Pot for Asymmetric Synthesis of Chiral Unnatural Amino Acids

Zhou, Haisheng,Meng, Lijun,Yin, Xinjian,Liu, Yayun,Xu, Gang,Wu, Jianping,Wu, Mianbin,Yang, Lirong

supporting information, p. 6470 - 6477 (2019/11/02)

Two biocatalytic reactions, transamination catalyzed by transaminases and reductive amination catalyzed by amino acid dehydrogenases, can be used for asymmetric synthesis of optically pure unnatural amino acids. However, although transaminases show a great diversity and broad substrate spectrum, most transaminase reactions are reversible, while amino acid dehydrogenases catalyze reductive amination irreversibly but with strict substrate specificity. Accordingly, herein we developed a tri-enzyme one-pot reaction system to exploit the respective advantages of transaminases and amino acid dehydrogenases, while overcoming the disadvantages of each. In this work, representatives of all four subgroups of transaminases coupled with different amino acid dehydrogenases to produce five l- and four d- unnatural amino acid products, using ammonia and the co-enzyme NAD(P)H, which is regenerated by a robust alcohol dehydrogenase with 2-propanol as cheap cosubstrate. The complete conversion and high enantiopurity (ee > 99 %) of the products, demonstrated it as an ideal alternative for asymmetric synthesis of chiral amino acid compounds.

METHOD FOR PREPARING THIENYL ALANINE HAVING OPTICAL ACTIVITY

-

, (2018/10/30)

This invention relates to a method of preparing optically active β-2-thienyl-alanine, and more particularly to a method of preparing optically active β-2-thienyl-L-alanine or optically active β-2-thienyl-D-alanine through an optical resolution reaction using chiral dibenzoyl tartaric acid or a derivative thereof as an optical resolving agent.

Influence of the aromatic moiety in α- And β-arylalanines on their biotransformation with phenylalanine 2,3-aminomutase from: Pantoea agglomerans

Varga, Andrea,Bánóczi, Gergely,Nagy, Botond,Bencze, László Csaba,To?a, Monica Ioana,Gellért, ákos,Irimie, Florin Dan,Rétey, János,Poppe, László,Paizs, Csaba

, p. 56412 - 56420 (2016/07/06)

In this study enantiomer selective isomerization of various racemic α- and β-arylalanines catalysed by phenylalanine 2,3-aminomutase from Pantoea agglomerans (PaPAM) was investigated. Both α- and β-arylalanines were accepted as substrates when the aryl moiety was relatively small, like phenyl, 2-, 3-, 4-fluorophenyl or thiophen-2-yl. While 2-substituted α-phenylalanines bearing bulky electron withdrawing substituents did not react, the corresponding substituted β-aryl analogues were converted rapidly. Conversion of 3- and 4-substituted α-arylalanines happened smoothly, while conversion of the corresponding β-arylalanines was poor or non-existent. In the range of pH 7-9 there was no significant influence on the conversion of racemic α- or β-(thiophen-2-yl)alanines, whereas increasing the concentration of ammonia (ammonium carbonate from 50 to 1000 mM) inhibited the isomerization progressively and decreased the amount of the by-product (i.e. (E)-3-(thiophen-2-yl)acrylic acid was detected). In all cases, the high ee values of the products indicated excellent enantiomer selectivity and stereospecificity of the isomerization except for (S)-2-nitro-α-phenylalanine (ee 92%) from the β-isomer. Substituent effects were rationalized by computational modelling revealing that one of the main factors controlling biocatalytic activity was the energy difference between the covalent regioisomeric enzyme-substrate complexes.

Chemical Dynamic Thermodynamic Resolution and S/R Interconversion of Unprotected Unnatural Tailor-made α-Amino Acids

Wang, Shuni,Zhou, Shengbin,Wang, Jiang,Nian, Yong,Kawashima, Aki,Moriwaki, Hiroki,Ace?a, José L.,Soloshonok, Vadim A.,Liu, Hong

, p. 9817 - 9830 (2015/11/03)

Described here is an advanced, general method for purely chemical dynamic thermodynamic resolution and S/R interconversion of unprotected tailor-made α-amino acids (α-AAs) through intermediate formation of the corresponding nickel(II)-chelated Schiff bases. The method features virtually complete stereochemical outcome, broad substrate generality (35 examples), and operationally convenient conditions allowing for large-scale preparation of the target α-AAs in enantiomerically pure form. Furthermore, the new type of nonracemizable axially chiral ligands can be quantitatively recycled and reused, rendering the whole process economically and synthetically attractive.

Bisepoxide cross-linked enzyme aggregates - New immobilized biocatalysts for selective biotransformations

Weiser, Diana,Varga, Andrea,Kovacs, Klaudia,Nagy, Flora,Szilagyi, Andras,Vertessy, Beata G.,Paizs, Csaba,Poppe, Laszlo

, p. 1463 - 1469 (2014/05/20)

Glycerol diglycidyl ether (GDE) is a convenient and inexpensive bisepoxide cross-linker as demonstrated by the preparation of cross-linked enzyme aggregates (CLEAs) from two enzyme classes. The GDE CLEAs of lipase from Pseudomonas fluorescens (AK), lipase from Burkholderia cepacia (PS), and lipase B from Candida antarctica (CaL B) as well as of phenylalanine ammonia-lyase (PAL) from Petroselinum crispum demonstrated improved properties as compared with their glutaraldehyde (GA) cross-linked counterparts. Ultrasonication studies indicated that the GDE CLEAs of lipase PS and PAL were mechanically more stable than the GA CLEAs. In the kinetic resolution of rac-1-phenylethanol, the catalytic activity of the GDE-lipase CLEAs (U=69.6, 134.8, and 127.4 U g -1 for AK, CaL B, and PS prepared at 22 °C, respectively) surpassed that of the corresponding GA-lipase CLEAs (U=24.4, 131.0, and 119.2 U g-1 for AK, CaL B, and PS prepared at 22 °C, respectively). The GDE co-CLEAs from PAL and bovine serum albumin (BSA) could be recycled at least three times if used for the stereoselective ammonia addition in 6 M ammonia to (E)-3-(thiophen-2-yl)acrylic acid, whereas the recycling of the conventional GA-PAL CLEAs from this medium failed. The missing linker: Glycerol diglycidyl ether is applied as a cross-linker for cross-linked enzyme aggregates (CLEAs) of various enzymes such as lipases and phenylalanine ammonia lyases. The bisepoxide CLEAs prove to be efficient and robust biocatalysts surpassing the performance of the glutaraldehyde CLEAs.

Novel preparation of chiral α-amino acids using the Mitsunobu-Tsunoda reaction

Noisier, Anais F. M.,Harris, Craig S.,Brimble, Margaret A.

supporting information, p. 7744 - 7746 (2013/09/02)

An efficient synthesis of racemic or optically active α-amino acids by modified-Mitsunobu alkylation of a racemic or chiral glycine template from alcohols was developed. Libraries of amino acids were prepared in moderate to good yield with good to high enantioselectivity. This simple method widens the scope for preparation of structurally diverse amino acids.

The interaction of heteroaryl-acrylates and alanines with phenylalanine ammonia-lyase from parsley

Paizs, Csaba,Katona, Adrian,Retey, Janos

, p. 2739 - 2744 (2008/02/03)

Acrylic acids and alanines substituted with heteroaryl groups at the β-position were synthesized and spectroscopically characterized (UV, HRMS, 1H NMR, and 13C NMR spectroscopy). The heteroaryl groups were furanyl, thiophenyl, benzofuranyl, and benzothiophenyl and contained the alanyl side chains either at the 2- or 3-positions. While the former are good substrates for phenylalanine ammonia lyase (PAL), the latter compounds are inhibitors. Exceptions are thiophen-3-yl-alanine, a moderate substrate and furan-3-yl-alanine, which is inert. Possible reasons for these exceptions are discussed. Starting from racemic het eroaryl-2-alanines their D-enantiomers were prepared by using a stereodestructive procedure. From the heteroaryl-2- acrylates, the L-enantiomers of the heteroaryl-2-alanines were prepared at high ammonia concentration. These results can be best explained by a Friedel - Crafts-type electrophilic attack at the aromatic part of the substrates as the initial step of the PAL reaction.

Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids and their use

-

, (2008/06/13)

Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids, and their use. L-Thienylalanines are prepared via the hydantoin or the azlactone route. The starting substances used for the biotransformation are 2-hydroxy-3-thienylacrylic acids. The innovative step consists in the transamination of the enol form of the 2-hydroxy-3-thienylacrylic acids to give L-thienylalanines with the aid of biotransformation. The transaminiation is carried out in the presence of L-aspartic acid or L-glutamic acid as amino donor.

Asymmetric synthesis of L-thienylalanines

Meiwes, Johannes,Schudok, Manfred,Kretzschmar, Gerhard

, p. 527 - 536 (2007/10/03)

L-Thienylalanines were prepared via the hydantoin and azlactone routes with the key step consisting of the microbial transamination of 2-hydroxy-3-thienylacrylic with L-aspartic acid as amino donor.The transamination reaction was performed by a genetically engineered E. coli strain on scales up to 100 g of L-3-(2-thienyl)alanine 1a and is also applicable to the preparation of the isomeric amino acid 1b and some ring-substituted derivatives.

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