D-2-THIENYLALANINE

Base Information

• Chemical Name: D-2-THIENYLALANINE
• CAS No.: 62561-76-6
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.22
• Hs Code.: 2934999090
• UNII: PJ4EM0CL5E
• Nikkaji Number: J215.764K
• Wikidata: Q27147425
• Mol file: 62561-76-6.mol

Synonyms:(2R)-2-Amino-3-(2-thienyl)propanoic acid;2-thiophenepropanoic acid, α-amino-, (αR)-;3-(2-Thienyl)-D-alanine;(2R)-2-ammonio-3-thiophen-2-ylpropanoate;3-Thiophen-2-yl-D-alanine;

Chemical Property of D-2-THIENYLALANINE

Chemical Property:

• Melting Point: 265-266 °C (decomp)
• Refractive Index: 1.631
• Boiling Point: 315.9 °C at 760 mmHg
• Flash Point: 144.9 °C
• PSA: 91.56000
• Density: 1.349 g/cm³
• LogP: 1.40280
• Storage Temp.: Store at RT.
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

H-3-D-Ala(2-thienyl)-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)CC(C(=O)O)N
• Isomeric SMILES: C1=CSC(=C1)C[C@H](C(=O)O)N

Technology Process of D-2-THIENYLALANINE

There total 22 articles about D-2-THIENYLALANINE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 45.0%

rac-3-(2-thienyl)alanine (2021-58-1,139-86-6) → D-2-amino-3-thiophen-2-yl-propionic acid (62561-76-6,139-86-6)

Guidance literature:

With phenylalanine ammonia-lyase; In various solvent(s); at 30 ℃; for 48h; pH=8.8;

DOI:10.1002/chem.200501034

Reference yield:

rac-3-(2-thienyl)alanine (2021-58-1,139-86-6) → 3-(2-thienyl)-2-propenoic acid (1124-65-8,15690-25-2,51019-83-1) + D-2-amino-3-thiophen-2-yl-propionic acid (62561-76-6,139-86-6)

Guidance literature:

With phenylalanine ammonia-lyase; In various solvent(s); at 30 ℃; pH=8.8; Enzyme kinetics;

DOI:10.1002/chem.200501034

Reference yield:

rac-3-(2-thienyl)alanine (2021-58-1,139-86-6) → 3-(2-thienyl)-2-propenoic acid (1124-65-8,15690-25-2,51019-83-1) + D-2-amino-3-thiophen-2-yl-propionic acid (62561-76-6,139-86-6) + (S)-3-amino-3-(2-thienyl)propanoic acid (3270-89-1)

Guidance literature:

With phenylalanine 2,3-aminomutase from Pantoea agglomerans; ammonium carbonate; at 20 ℃; for 20h; pH=8; pH-value; Temperature; enantioselective reaction; Catalytic behavior; Enzymatic reaction;

DOI:10.1039/c6ra02964g

upstream raw materials:

(R)-2-formylamino-3-[2]thienyl-propionic acid

(R)-2-acetamido-3-(2-thienyl)propanoic acid

(R)-2-(chloroacetyl-amino)-3-[2]thienyl-propionic acid

(R)-methyl 2-acetylamino-3-(2-thienyl)propanoate

Downstream raw materials:

C₁₃H₁₂N₂O₄S

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