4-Hydroxy-2-phenylbutanoic acid

Base Information

• Chemical Name: 4-Hydroxy-2-phenylbutanoic acid
• CAS No.: 6837-26-9
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.203
• NSC Number: 176157
• DSSTox Substance ID: DTXSID80306416
• ChEMBL ID: CHEMBL355431
• Mol file: 6837-26-9.mol

Synonyms:4-hydroxy-2-phenylbutanoic acid;6837-26-9;Benzeneacetic acid, alpha-(2-hydroxyethyl)-;NSC176157;SCHEMBL819393;4-hydroxy-2-phenylbutanoicacid;CHEMBL355431;DTXSID80306416;AKOS017530745;NSC 176157;NSC-176157;EN300-364417

Chemical Property of 4-Hydroxy-2-phenylbutanoic acid

Chemical Property:

• Vapor Pressure: 6.43E-06mmHg at 25°C
• Boiling Point: 363.4°C at 760 mmHg
• Flash Point: 187.8°C
• Density: 1.216g/cm³
• XLogP3: 1.1
• 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:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Hydroxy-2-phenylbutanoic acid

There total 6 articles about 4-Hydroxy-2-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:

isopropylmagnesium chloride (1068-55-9) + sodium phenylacetate (114-70-5) → 4-hydroxy-2-phenyl-butyric acid (6837-26-9)

Guidance literature:

With diethyl ether; anschliessend mit Aethylenoxid behandeln;

DOI:10.1021/ja01127a036

Reference yield:

4-Benzhydryloxy-2-phenyl-butyric acid (81771-12-2) → 4-hydroxy-2-phenyl-butyric acid (6837-26-9)

Guidance literature:

With lithium;

DOI:10.1021/jo01319a011

Reference yield:

→ 4-hydroxy-2-phenyl-butyric acid (6837-26-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

isopropylmagnesium chloride

sodium phenylacetate

2,2'-diphenyl-4,4'-methanediyldioxy-di-butyronitrile

oxirane

Downstream raw materials:

3-phenyldihydrofuran-2-one

C₁₁H₁₃⁽²⁾HO₂

C₁₀H₁₁⁽²⁾HO₂

4-bromo-2-phenyl-butyric acid methyl ester