4-[4-(2-Carboxybenzoyl)phenyl]butyric acid

Base Information

• Chemical Name: 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid
• CAS No.: 80866-86-0
• Molecular Formula: C18H16O5
• Molecular Weight: 312.322
• Hs Code.: 2918300090
• European Community (EC) Number: 279-590-9
• DSSTox Substance ID: DTXSID301001597
• Nikkaji Number: J320.328J
• Wikidata: Q82995568
• ChEMBL ID: CHEMBL82883
• Mol file: 80866-86-0.mol

Synonyms:80866-86-0;4-[4-(2-Carboxybenzoyl)phenyl]butyric acid;2-[4-(3-carboxypropyl)benzoyl]benzoic acid;4-(2-Carboxybenzoyl)benzenebutyric acid;EINECS 279-590-9;2-(4-(3-Carboxypropyl)benzoyl)benzoic acid;CBiol_000216;CBiol_000239;CHEMBL82883;SCHEMBL503666;2-[[4-(3-carboxypropyl)phenyl]-oxomethyl]benzoic acid;DTXSID301001597;ICCB2_000216;ICCB2_000239;4-(2-Carboxybenzoyl)benzenebutanoic acid;FT-0641783;2-[4-(3-Carboxy-propyl)-benzoyl]-benzoic acid;A839993;2-[4-(4-hydroxy-4-oxo-butyl)benzoyl]benzoic acid;4-[4-(2-Carboxybenzoyl)phenyl]butyric acid, 98%

Chemical Property of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid

Chemical Property:

• Vapor Pressure: 4.46E-14mmHg at 25°C
• Melting Point: 151-154 °C(lit.)
• Refractive Index: 1.609
• Boiling Point: 575.3 °C at 760 mmHg
• Flash Point: 315.8 °C
• PSA: 91.67000
• Density: 1.298 g/cm³
• LogP: 3.02310
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 312.09977361
• Heavy Atom Count: 23
• Complexity: 437

Purity/Quality:

98%min ^*data from raw suppliers

4-[4-(2-Carboxybenzoyl)phenyl]butyric acid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)CCCC(=O)O)C(=O)O
• Uses: 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid may be used in chemical synthesis.

Technology Process of 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid

There total 1 articles about 4-[4-(2-Carboxybenzoyl)phenyl]butyric 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:

phthalic anhydride (85-44-9) + 4-Phenylbutyric acid (1821-12-1) → 4-[4-(2-carboxy-benzoyl)-phenyl]-butyric acid (80866-86-0)

Guidance literature:

With aluminium trichloride; 1,1,2,2-tetrachloroethane;

DOI:10.1021/ja01854a010

Reference yield:

4-[4-(2-carboxy-benzoyl)-phenyl]-butyric acid (80866-86-0) → 4-[4-(2-carboxy-benzyl)-phenyl]-butyric acid (854646-10-9)

Guidance literature:

With sodium hydroxide; copper oxide-chromium oxide; water; at 200 ℃; under 154457 Torr; Hydrogenation;

DOI:10.1021/ja01854a010

upstream raw materials:

phthalic anhydride

4-Phenylbutyric acid

Downstream raw materials:

4-[4-(2-carboxy-benzyl)-phenyl]-butyric acid