2-Hydroxy-4-oxo-4-phenylbutanoic acid

Base Information

• Chemical Name: 2-Hydroxy-4-oxo-4-phenylbutanoic acid
• CAS No.: 65245-10-5
• Molecular Formula: C10H10 O4
• Molecular Weight: 194.187
• Hs Code.: 2918990090
• European Community (EC) Number: 265-659-0
• DSSTox Substance ID: DTXSID30983852
• Nikkaji Number: J307.355F
• ChEMBL ID: CHEMBL177826
• Mol file: 65245-10-5.mol

Synonyms:2-hydroxy-4-oxo-4-phenylbutanoic acid;65245-10-5;2-Hydroxy-4-oxo-4-phenyl-butyric acid;CHEMBL177826;2-(S)-HYDROXY-4-OXO-4-PHENYL-BUTYRIC ACID;(alphaR)-alpha-Hydroxy-gamma-oxo-benzenebutanoic-d5 Acid;BENZOYLLACTICACID;SCHEMBL4967701;DTXSID30983852;3-benzoyl-2-hydroxy-propionic acid;EINECS 265-659-0;BDBM50137857;SB84848;2-hydroxy-4-oxo-4-phenyl-butanoic acid;alpha-Hydroxy-gamma-oxobenzenebutanoic acid;FT-0641002;FT-0669926;FT-0669927

Chemical Property of 2-Hydroxy-4-oxo-4-phenylbutanoic acid

Chemical Property:

• Vapor Pressure: 2.06E-08mmHg at 25°C
• Boiling Point: 437.1°C at 760 mmHg
• Flash Point: 232.3°C
• PSA: 63.60000
• Density: 1.325g/cm³
• LogP: 1.31650
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxy-4-oxo-4-phenylbutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(C(=O)O)O

Technology Process of 2-Hydroxy-4-oxo-4-phenylbutanoic acid

There total 17 articles about 2-Hydroxy-4-oxo-4-phenylbutanoic 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%

acetophenone (98-86-2) + Glyoxilic acid (298-12-4) → 2-hydroxy-4-oxo-4-phenylbutanoic acid (65245-10-5)

Guidance literature:

With indium(III) chloride; at 30 ℃; for 72h; sonication;

DOI:10.1055/s-1999-2786

Reference yield: 94.0%

acetophenone (98-86-2) + 2,2-dihydroxyacetic acid (563-96-2) → 2-hydroxy-4-oxo-4-phenylbutanoic acid (65245-10-5)

Guidance literature:

With indium(III) chloride; at 30 ℃; for 72h; sonication;

DOI:10.1016/S0040-4020(01)00309-X

Reference yield: 91.0%

1-styrenyloxytrimethylsilane (13735-81-4) + Glyoxilic acid (298-12-4) → 2-hydroxy-4-oxo-4-phenylbutanoic acid (65245-10-5)

Guidance literature:

With indium(III) chloride; In water; at 23 ℃; for 15h;

DOI:10.1039/cc9960001819

upstream raw materials:

3-benzoylacrylic acid

methyl 3-benzoylacrylate

1-styrenyloxytrimethylsilane

Glyoxilic acid

Downstream raw materials:

acetophenone

Glyoxilic acid

6-phenyl-3(2H)-pyridazinethione

6-phenylpyridazin-3(2H)-one