4-(4-Hydroxyphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(4-Hydroxyphenyl)-4-oxobutanoic acid
• CAS No.: 56872-39-0
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• European Community (EC) Number: 669-238-6
• NSC Number: 40398
• DSSTox Substance ID: DTXSID80285070
• Wikidata: Q82020305
• Mol file: 56872-39-0.mol

Synonyms:4-(4-hydroxyphenyl)-4-oxobutanoic acid;56872-39-0;MFCD06249037;NSC40398;SCHEMBL2632218;DTXSID80285070;QKDLXQWEBIYZSS-UHFFFAOYSA-N;3-(4-Hydroxylbenzoyl)propionic acid;NSC-40398;AKOS022186521;4-(4-hydroxyphenyl)-4-oxobutanoicacid;CS-W000648;AS-48481;SY240171;gamma-p-hydroxyphenyl-gamma-ketobutyric acid;EN300-94335;F31366;Z1255458188

Chemical Property of 4-(4-Hydroxyphenyl)-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 2.75E-09mmHg at 25°C
• Boiling Point: 460.8°Cat760mmHg
• Flash Point: 246.6°C
• Density: 1.32g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCC(=O)O)O

Technology Process of 4-(4-Hydroxyphenyl)-4-oxobutanoic acid

There total 18 articles about 4-(4-Hydroxyphenyl)-4-oxobutanoic 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: 100.0%

4-(4-methoxy-phenyl)-4-oxo-butyric acid (3153-44-4) → 3-(4-hydroxybenzoyl)propionic acid (56872-39-0)

Guidance literature:

With hydrogen bromide; In water; acetic acid; at 130 ℃;

Reference yield: 88.0%

→ 3-(4-hydroxybenzoyl)propionic acid (56872-39-0)

Guidance literature:

Reference yield: 60.0%

4-hydroxy-1-(4-hydroxyphenyl)-butan-1-one (113425-33-5) → 3-(4-hydroxybenzoyl)propionic acid (56872-39-0)

Guidance literature:

With Jones reagent; In acetone; at 20 ℃; for 20h;

DOI:10.1039/d0nj02630a

upstream raw materials:

succinic acid anhydride

phenol

4-(4-hydroxy-phenyl)-4-oxo-butyronitrile

succinic acid ethyl ester-phenyl ester

Downstream raw materials:

5-(4-acetoxy-phenyl)-3H-furan-2-one

4-(4-hydroxyphenyl)butanoic acid

4-(4-hydroxyphenyl)-4-oxobutanoic acid ethyl ester

4-hydroxy-gamma-oxobenzenebutanoic acid,methyl ester