2-(4-Hydroxyphenyl)propionic acid, (2S)-

Base Information

• Chemical Name: 2-(4-Hydroxyphenyl)propionic acid, (2S)-
• CAS No.: 124578-19-4
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.177
• UNII: 69997M3575
• Nikkaji Number: J1.419.339A
• Mol file: 124578-19-4.mol

Synonyms:(S)-2-(4-Hydroxyphenyl)propanoic Acid;124578-19-4;2-(4-Hydroxyphenyl)propionic acid, (2S)-;(2S)-2-(4-hydroxyphenyl)propanoic acid;(S)-(+)-2-(p-Hydroxyphenyl)propionic acid;69997M3575;SCHEMBL892055;(+)-p-Hydroxyhydratropic acid;AC3350;UNII-69997M3575;AKOS037630774;(S)-2-(4-hydroxyphenyl)propionic acid;CS-0435917;(alphaS)-4-Hydroxy-alpha-methylbenzeneacetic acid;A925957;Benzeneacetic acid, 4-hydroxy-alpha-methyl-, (alphaS)-;(.ALPHA.S)-4-HYDROXY-.ALPHA.-METHYLBENZENEACETIC ACID;BENZENEACETIC ACID, 4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S)-

Chemical Property of 2-(4-Hydroxyphenyl)propionic acid, (2S)-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Hydroxyphenyl)propionicacid,(2S)- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(4-Hydroxyphenyl)propionic acid, (2S)-

There total 4 articles about 2-(4-Hydroxyphenyl)propionic acid, (2S)- 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:

2-(4-hydroxyphenyl)propionic acid ethylester (56355-15-8) → 2-(4-hydroxyphenyl)propionic acid (124578-19-4) + (R)-(-)-2-(4-hydroxyphenyl)propanoic acid (59092-88-5)

Guidance literature:

With lipase from Candida rugosa; In aq. phosphate buffer; at 45 ℃; for 24h; pH=6.5; Reagent/catalyst; Optical yield = 85 %ee; enantioselective reaction; Resolution of racemate;

DOI:10.1007/s11696-019-00796-9

Reference yield:

2-(4-Hydroxy-phenyl)-propionic acid (938-96-5) → 2-(4-hydroxyphenyl)propionic acid (124578-19-4) + (R)-(-)-2-(4-hydroxyphenyl)propanoic acid (59092-88-5)

Guidance literature:

With Chiralpack IC column; In ethanol; hexane; trifluoroacetic acid; Resolution of racemate;

DOI:10.1021/acs.jmedchem.1c00034

Reference yield:

→ 2-(4-hydroxyphenyl)propionic acid (124578-19-4)

Guidance literature:

With sulfuric acid;

DOI:10.1007/BF03037359

upstream raw materials:

2-(4-hydroxyphenyl)propionic acid ethylester

2-(4-Hydroxy-phenyl)-propionic acid

Downstream raw materials:

(S)-(+)-2-(4-hydroxyphenyl) propionic acid N,N-dimethylcarbamoyl methyl ester

(S)-(+)-2-(4-hydroxyphenyl)propionic acid 4-fluorobenzyl ester

(S)-(+)-2-(4-hydroxyphenyl)propionic acid benzyloxycarbonylmethylester

(S)-(+)-2-(4-hydroxyphenyl)propionic acid carbamoylmethylester