Benzophenone-2,4,5-tricarboxylic Acid

Base Information

• Chemical Name: Benzophenone-2,4,5-tricarboxylic Acid
• CAS No.: 135989-69-4
• Molecular Formula: C16H10O7
• Molecular Weight: 314.25
• Hs Code.: 2918300090
• European Community (EC) Number: 678-159-6
• DSSTox Substance ID: DTXSID60468021
• Wikidata: Q72440209
• Mol file: 135989-69-4.mol

Synonyms:Benzophenone-2,4,5-tricarboxylic Acid;135989-69-4;2,4,5-Tricarboxybenzophenone;5-benzoylbenzene-1,2,4-tricarboxylic Acid;SCHEMBL15793780;DTXSID60468021;CS-B1288;MFCD08276278;2,4,5-benzophenone tricarboxylic acid;AKOS025401996;AC-27910;CS-15088;B2421;A886894

Chemical Property of Benzophenone-2,4,5-tricarboxylic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 224℃
• Refractive Index: 1.672
• Boiling Point: 637℃
• PKA: 2.47±0.10(Predicted)
• Flash Point: 353℃
• PSA: 128.97000
• Density: 1.531
• LogP: 2.01220
• Solubility.: soluble in Methanol
• 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: 507

Purity/Quality:

98% ^*data from raw suppliers

Benzophenone-2,4,5-tricarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)O

Technology Process of Benzophenone-2,4,5-tricarboxylic Acid

There total 9 articles about Benzophenone-2,4,5-tricarboxylic 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: 61.0%

2,4,5-trimethylbenzophenone (52890-52-5) → benzophenone-2,4,5-tricarboxylic acid (135989-69-4)

Guidance literature:

2,4,5-trimethylbenzophenone; With nitric acid; In water; for 120h; Heating;

With sodium hydroxide; potassium permanganate; In water;

DOI:10.1016/j.tet.2006.04.055

Reference yield:

1,2,4-Trimethylbenzene (95-63-6) → benzophenone-2,4,5-tricarboxylic acid (135989-69-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 67 percent / AlCl₃ / CH₂Cl₂

2.1: HNO₃ / H₂O / 120 h / Heating

2.2: 61 percent / NaOH; KMnO₄ / H₂O

With aluminium trichloride; nitric acid; In dichloromethane; water; 1.1: Friedel-Crafts acylation;

DOI:10.1016/j.tet.2006.04.055

Reference yield:

benzoyl chloride (98-88-4) → benzophenone-2,4,5-tricarboxylic acid (135989-69-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / AlCl₃ / CH₂Cl₂ / 6 h / Ambient temperature

2: 1) 20percent HNO₃, 2) KMnO₄, 10percent aq.NaOH / 1) reflux, 5 d, 2) reflux, 3 h

With sodium hydroxide; potassium permanganate; aluminium trichloride; nitric acid; In dichloromethane;

DOI:10.1021/jo00021a055

upstream raw materials:

2,4,5-trimethylbenzophenone

nitric acid

Pyromellitic dianhydride

benzene

Downstream raw materials:

5-benzoyl-benzene-1,2,4-tricarboxylic acid-1,2-anhydride

anthracene-2,3-dicarboxylic acid

Refernces

• 1、 Borisov,Maizlish,Shaposhnikov. "Tetraanthraquinonoporphyrazines: I. Substituted 2,3-dicarboxyanthraquionones". . p. 1151 - 1156. Retrieved 2007/10/03.