4-(2-Carboxybenzoyl)phthalic acid

Base Information

• Chemical Name: 4-(2-Carboxybenzoyl)phthalic acid
• CAS No.: 5466-99-9
• Molecular Formula: C₁₆H₁₀O₇
• Molecular Weight: 314.251
• European Community (EC) Number: 622-160-6
• NSC Number: 28620
• DSSTox Substance ID: DTXSID70282891
• Wikidata: Q82017278
• ChEMBL ID: CHEMBL1414990
• Mol file: 5466-99-9.mol

Synonyms:4-(2-carboxybenzoyl)phthalic acid;5466-99-9;NSC28620;NSC-28620;1,2-Benzenedicarboxylicacid, 4-(2-carboxybenzoyl)-;Compound 28620;NCIStruc1_001017;NCIStruc2_001156;1,2-Benzenedicarboxylic acid, 4-(2-carboxybenzoyl)-;SCHEMBL2058645;CHEMBL1414990;BDBM26617;DTXSID70282891;NCI28620;CCG-36796;NCGC00013354;AKOS024333975;NCGC00013354-02;NCGC00096471-01;NCI60_002348;PD119880;2',3,4-BENZOPHENONETRICARBOXYLIC ACID;4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxylic acid

Chemical Property of 4-(2-Carboxybenzoyl)phthalic acid

Chemical Property:

• Vapor Pressure: 2.91E-18mmHg at 25°C
• Boiling Point: 659°C at 760 mmHg
• Flash Point: 366.3°C
• Density: 1.531g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 314.04265265
• Heavy Atom Count: 23
• Complexity: 513

Purity/Quality:

99%min ^*data from raw 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)C(=O)O)C(=O)O)C(=O)O

Technology Process of 4-(2-Carboxybenzoyl)phthalic acid

There total 7 articles about 4-(2-Carboxybenzoyl)phthalic 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:

2-(3-cyano-4-methyl-benzoyl)-benzoic acid → 4-(2-carboxybenzoyl)phthalic acid (5466-99-9)

Guidance literature:

With nitric acid; at 200 ℃; im Rohr;

Reference yield:

phthalic anhydride (85-44-9) + o-xylene (95-47-6) → 4-(2-carboxybenzoyl)phthalic acid (5466-99-9)

Guidance literature:

With aluminium trichloride; at 110 ℃; Erwaermen des nach der Hydrolyse (mit Hilfe von wss. Salzsaeure) erhaltenen Reaktionsprodukts mit wss. Natronlauge und Kaliumpermanganat;

Reference yield:

2-(3,4-dimethylbenzoyl)benzoic acid (2159-42-4) → 4-(2-carboxybenzoyl)phthalic acid (5466-99-9)

Guidance literature:

With potassium permanganate;

upstream raw materials:

phthalic anhydride

o-xylene

2-(3,4-dimethylbenzoyl)benzoic acid

nitric acid