3-Benzoylbenzene-1,2-dicarboxylic acid

Base Information

• Chemical Name: 3-Benzoylbenzene-1,2-dicarboxylic acid
• CAS No.: 602-82-4
• Molecular Formula: C6H5COC6H3(COOH)2
• Molecular Weight: 270.241
• DSSTox Substance ID: DTXSID10604694
• Nikkaji Number: J79.706E
• Wikidata: Q82502702
• Mol file: 602-82-4.mol

Synonyms:3-Benzoylbenzene-1,2-dicarboxylic acid;Carbonylbis[benzoic]acid;benzophenone dicarboxylic acid;602-82-4;SCHEMBL144047;DTXSID10604694

Chemical Property of 3-Benzoylbenzene-1,2-dicarboxylic acid

Chemical Property:

• Melting Point: 140.5°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 373.35°C (rough estimate)
• PSA: 91.67000
• Density: 1.3280 (rough estimate)
• LogP: 2.31400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 270.05282342
• Heavy Atom Count: 20
• Complexity: 397

Purity/Quality:

98%min ^*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)C2=C(C(=CC=C2)C(=O)O)C(=O)O

Technology Process of 3-Benzoylbenzene-1,2-dicarboxylic acid

There total 18 articles about 3-Benzoylbenzene-1,2-dicarboxylic 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:

1-benzoylnaphthalene (642-29-5) → 3-benzoylphthalic acid (602-82-4) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Reference yield:

(2,3-dimethylphenyl)(phenyl)methanol (21945-69-7) → 3-benzoylphthalic acid (602-82-4)

Guidance literature:

With potassium permanganate; water; In tert-butyl alcohol; at 80 ℃; for 18h;

Reference yield:

3-methylphthalic acid anhydride (4792-30-7) → 3-benzoylphthalic acid (602-82-4)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; aluminium chloride

2: potassium permanganate; water

With potassium permanganate; aluminium trichloride; water; benzene;

upstream raw materials:

1-benzoylnaphthalene

2-benzoyl-6-methyl-benzoic acid

aluminium trichloride

3-carboxyphthalic anhydride

Downstream raw materials:

anthraquinone-1-carboxylic acid

dimethyl 3-benzoylphthalate

anthracene-1-carboxylic acid

methyl 9,10-anthraquinone-1-carboxylate