2-(4-Hydroxyphenyl)propanoic acid

Base Information

• Chemical Name: 2-(4-Hydroxyphenyl)propanoic acid
• CAS No.: 938-96-5
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29182900
• European Community (EC) Number: 213-352-7
• UNII: 55FH3476SI
• DSSTox Substance ID: DTXSID90917911
• Nikkaji Number: J298.536E
• Wikidata: Q27105516
• Metabolomics Workbench ID: 49491
• ChEMBL ID: CHEMBL188281
• Mol file: 938-96-5.mol

Synonyms:2-(4-hydroxyphenyl)propionic acid;2-HPPA cpd

Chemical Property of 2-(4-Hydroxyphenyl)propanoic acid

Chemical Property:

• Appearance/Colour: white to slightly beige cryst. powder or chunks
• Vapor Pressure: 7.73E-05mmHg at 25°C
• Melting Point: 131.6 °C
• Refractive Index: 1.5760 (estimate)
• Boiling Point: 328.3 °C at 760 mmHg
• PKA: 4.55±0.10(Predicted)
• Flash Point: 166.5 °C
• PSA: 57.53000
• Density: 1.253 g/cm³
• LogP: 1.58030
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• 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:

98% ^*data from raw suppliers

2-(4-Hydroxyphenyl)propionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-36-25
• Safety Statements: 37/39-26-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Hydroxyphenyl)propanoic acid

There total 13 articles about 2-(4-Hydroxyphenyl)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: 90.0%

2-(4-methoxyphenyl)propanoic acid (942-54-1) → 2-(4-Hydroxy-phenyl)-propionic acid (938-96-5)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃; for 2.5h;

DOI:10.1016/j.ejmech.2008.02.030

Reference yield: 85.8%

→ 2-(4-Hydroxy-phenyl)-propionic acid (938-96-5)

Guidance literature:

Reference yield: 82.4%

2-(4-hydroxyphenyl)-1-phenylethan-1-one (6420-90-2) → 2-(4-Hydroxy-phenyl)-propionic acid (938-96-5)

Guidance literature:

With sodium hydroxide; In N-methyl-acetamide; methanol; hexane; water; ethyl acetate; toluene;

upstream raw materials:

2-(4-methoxyphenyl)propanoic acid

2-(4-hydroxyphenyl)propanenitrile

1-(4-hydroxyphenyl)ethanol

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

methyl 2-(4-hydroxyphenyl)propanoate

methyl 2-{4-[(7-chloro-2-quinoxalinyl)oxy]phenyl}propionate

β-4-methoxycarbonyl-(α-methyl)methenylphenyl-dihydroartemisinin ether

β-4-carboxy-(α-methyl)methenylphenyl-dihydroartemisinin ether

Refernces

• 1、 Junek, Richard,Kverka, Miloslav,Jandera, Antonin,Panajotova, Vladimira,Satinsky, Dalibor,Machacek, Milos,Kuchar, Miroslav. "Antileukotrienic phenethylamido derivatives of arylalkanoic acids in the treatment of ulcerative colitis". experimental part. p. 332 - 344. Retrieved 2009/04/06.
• 2、 -. "Process for the preparation of alpha-hydroxyaryl-alkanoic acids". . . Retrieved 2008/06/13.