(S)-2-amino-3-(4-sulfophenyl)propanoic acid

Base Information

• Chemical Name: (S)-2-amino-3-(4-sulfophenyl)propanoic acid
• CAS No.: 34023-49-9
• Molecular Formula: C9H11NO5S
• Molecular Weight: 245.256
• Hs Code.: 2922499990
• ChEMBL ID: CHEMBL1092200
• DSSTox Substance ID: DTXSID90955595
• Nikkaji Number: J1.763.384H
• Mol file: 34023-49-9.mol

Synonyms:34023-49-9;(S)-2-amino-3-(4-sulfophenyl)propanoic acid;4-Sulfonic acid-L-phenylalanine;(2S)-2-amino-3-(4-sulfophenyl)propanoic acid;84053-08-7;Phenylalanine, 4-sulfo-;4-sulfophenylalanine;SCHEMBL147621;CHEMBL1092200;DTXSID90955595;MFCD00270366;AKOS025287282;AM86055;DS-9516;N10415

Chemical Property of (S)-2-amino-3-(4-sulfophenyl)propanoic acid

Chemical Property:

• Refractive Index: 1.619
• PSA: 126.07000
• Density: 1.53 g/cm³
• LogP: 1.66880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 245.03579362
• Heavy Atom Count: 16
• Complexity: 339

Purity/Quality:

98%min ^*data from raw suppliers

(S)-2-Amino-3-(4-sulfophenyl)propanoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)S(=O)(=O)O
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)S(=O)(=O)O

Technology Process of (S)-2-amino-3-(4-sulfophenyl)propanoic acid

There total 2 articles about (S)-2-amino-3-(4-sulfophenyl)propanoic acid 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: 87.0%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → L-4'-sulfophenylalanine (34023-49-9)

Guidance literature:

With chlorosulfonic acid; for 12h; Cooling with ice;

DOI:10.2174/1570180812666141206001604

Reference yield:

→ L-4'-sulfophenylalanine (34023-49-9)

Guidance literature:

L-Phenylalanin, H2SO4, Oleum;

Reference yield: 89.0%

L-4'-sulfophenylalanine (34023-49-9) + benzyl chloroformate (501-53-1,94274-21-2) → N-Benzyloxycarbonyl-L-4'-sulfophenylalanine (251943-32-5)

Guidance literature:

With hydrogenchloride; sodium chloride; sodium hydrogencarbonate; In tetrahydrofuran; water;

upstream raw materials:

L-phenylalanine

Downstream raw materials:

N-Benzyloxycarbonyl-L-4'-sulfophenylalanine

Refernces

• 1、 Etoga, Jean-Louis G.,Ahmed, S. Kaleem,Patel, Sarjubhai,Bridges, Richard J.,Thompson, Charles M.. "Conformationally-restricted amino acid analogues bearing a distal sulfonic acid show selective inhibition of system xc- over the vesicular glutamate transporter". body text. p. 2680 - 2683. Retrieved 2010/07/13.