3-(2-Hydroxybenzoyl)propionic acid

Base Information

• Chemical Name: 3-(2-Hydroxybenzoyl)propionic acid
• CAS No.: 39560-34-4
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• Hs Code.: 2918990090
• European Community (EC) Number: 254-508-4
• UNII: 9HBQ5FV3X6
• DSSTox Substance ID: DTXSID00192676
• Nikkaji Number: J261.381F
• Wikidata: Q83065342
• Mol file: 39560-34-4.mol

Synonyms:3-(2-Hydroxybenzoyl)propionic acid;39560-34-4;4-(2-hydroxyphenyl)-4-oxobutanoic acid;EINECS 254-508-4;3-(2-HYDROXYBENZOYL)PROPANOIC ACID;SCHEMBL8028698;DTXSID00192676;QBQVEOIVSWQRDU-UHFFFAOYSA-N;3-(o-hydroxybenzoyl)propionic acid;AKOS006373808;2-Hydroxy-gamma-oxobenzenebutanoic acid;gamma-o-hydroxyphenyl-gamma-ketobutyric acid

Chemical Property of 3-(2-Hydroxybenzoyl)propionic acid

Chemical Property:

• Vapor Pressure: 6.6E-07mmHg at 25°C
• Boiling Point: 393.8°Cat760mmHg
• Flash Point: 206.1°C
• PSA: 74.60000
• Density: 1.32g/cm³
• LogP: 1.43970
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99% ^*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(=O)CCC(=O)O)O

Technology Process of 3-(2-Hydroxybenzoyl)propionic acid

There total 8 articles about 3-(2-Hydroxybenzoyl)propionic 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: 20.0%

4-Chlorophenyl Hydrogen Succinate (15571-99-0) → 4-(5-Chloro-2-hydroxyphenyl)-4-oxobutanoic Acid (62903-23-5) + 3-(2-hydroxybenzoyl)propionic acid (39560-34-4) + 4-chloro-phenol (106-48-9,82344-39-6)

Guidance literature:

In ethanol; for 20h; Product distribution; Ambient temperature; Irradiation; further time, temperature and reagent;

DOI:10.1007/BF00811125

Reference yield: 19.0%

succinic acid anhydride (108-30-5) + phenol (108-95-2,27073-41-2) → 3-(2-hydroxybenzoyl)propionic acid (39560-34-4)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; for 2h; Reflux;

DOI:10.1016/j.bmcl.2008.11.030

Reference yield:

aluminium trichloride (7446-70-0) + monophenyl succinate (6311-68-8) + toluene (108-88-3,15644-74-3,16713-13-6) → 3-(4-methylbenzoyl)propionic acid (4619-20-9) + 3-(4-hydroxybenzoyl)propionic acid (56872-39-0) + 3-(2-hydroxybenzoyl)propionic acid (39560-34-4)

Guidance literature:

DOI:10.1039/jr9500003606

upstream raw materials:

succinic acid anhydride

phenol

monophenyl succinate

4-Chlorophenyl Hydrogen Succinate

Downstream raw materials:

2-hydroxybenzenebutanoic acid

4-(2-hydroxy-phenyl)-4-oxo-butyric acid ethyl ester

4-(2-ethoxy-phenyl)-4-oxo-butyric acid

β-methoxy-γ-oxo-γ-phenylbutanoic acid