(S)-2-Hydroxy-4-phenylbutyric Acid

Base Information

• Chemical Name: (S)-2-Hydroxy-4-phenylbutyric Acid
• CAS No.: 115016-95-0
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918199090
• UNII: AYZ4KJ5LJN
• Nikkaji Number: J57.296I
• Mol file: 115016-95-0.mol

Synonyms:(S)-2-Hydroxy-4-phenylbutyric Acid;115016-95-0;(2S)-2-hydroxy-4-phenylbutanoic acid;(s)-2-hydroxy-4-phenylbutanoic acid;AYZ4KJ5LJN;UNII-AYZ4KJ5LJN;S(+)-2-hydroxy-4-phenylButyric Acid;2-Hydroxy-4-phenylbutyric acid, (S)-;2-Hydroxy-4-phenylbutyric acid, (+)-;Benzenebutanoic acid, alpha-hydroxy-, (alphaS)-;L-4-phenyl-alpha-hydroxybutyric acid;2-(S)-Hydroxy-4-phenylbutyric acid;(alphaS)-alpha-Hydroxybenzenebutanoic acid;SCHEMBL360781;JNJCEALGCZSIGB-VIFPVBQESA-N;(S)-alpha-Hydroxybenzenebutyric acid;MFCD06656492;2-(S)-Hydroxy-4-phenyl-butyric acid;AKOS006291801;AKOS015855343;(S)-2-hydroxy-4-phenyl butanoic acid;CS-W021166;DS-12137;H1339;L-4-PHENYL-.ALPHA.-HYDROXYBUTYRIC ACID;O10214;A803285;Q-200034;(.ALPHA.S)-.ALPHA.-HYDROXYBENZENEBUTANOIC ACID;BENZENEBUTANOIC ACID, .ALPHA.-HYDROXY-, (.ALPHA.S)-

Chemical Property of (S)-2-Hydroxy-4-phenylbutyric Acid

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.03E-05mmHg at 25°C
• Melting Point: 110-112°C
• Refractive Index: 1.564
• Boiling Point: 356.9 °C at 760 mmHg
• PKA: 3.79±0.10(Predicted)
• Flash Point: 183.9 °C
• PSA: 57.53000
• Density: 1.219 g/cm³
• LogP: 1.06470
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly), Methanol (S
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-Hydroxy-4-phenylbutyric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(C(=O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)CC[C@@H](C(=O)O)O
• Uses: (S)-2-Hydroxy-4-phenylbutyric acid is used in the preparation of benzothiophenes, benzofurans, and indoles useful in the treatment of insulin resistance and hyperglycemia.

Technology Process of (S)-2-Hydroxy-4-phenylbutyric Acid

There total 54 articles about (S)-2-Hydroxy-4-phenylbutyric 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: 94.0%

(S)-2-hydroxy-4-oxo-4-phenylbutanoic acid (146912-63-2) → (S)-2-hydroxy-4-phenylbutanoic acid (115016-95-0,111611-91-7)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; at 20 ℃; under 760 Torr;

DOI:10.1016/S0957-4166(01)00285-3

Reference yield: 90.0%

(S)-ethyl 2-hydroxy-4-phenylbutyrate (125639-64-7) → (S)-2-hydroxy-4-phenylbutanoic acid (115016-95-0,111611-91-7)

Guidance literature:

With sodium hydroxide; In water; at 20 - 70 ℃;

DOI:10.1021/jo050156n

Reference yield: 83.0%

(S)-2-hydroxy-4-phenyl-3-butenoic acid (140696-23-7,128573-54-6) → (S)-2-hydroxy-4-phenylbutanoic acid (115016-95-0,111611-91-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 0.166667h;

DOI:10.1055/s-2005-871577

upstream raw materials:

(S)-2-hydroxy-4-phenyl-3-butenoic acid

2-oxo-4-phenylbutyric acid

ethyl 2-hydroxy-4-phenylbutanoate

(S)-2-hydroxy-4-oxo-4-phenylbutanoic acid

Downstream raw materials:

(S)-ethyl 2-hydroxy-4-phenylbutyrate

1-<(S)-2-hydroxy-1-oxo-4-phenylbutyl>-L-proline phenylmethyl ester

(2S)-2-Hydroxy-4-phenylbutyric acid methyl ester

(2R)-2-Hydroxy-4-phenylbutyric acid methyl ester