4-(4-Methylbenzoyl)benzoic acid

Base Information

• Chemical Name: 4-(4-Methylbenzoyl)benzoic acid
• CAS No.: 35776-96-6
• Molecular Formula: C15H12 O3
• Molecular Weight: 240.258
• DSSTox Substance ID: DTXSID00957166
• Wikidata: Q82937400
• Mol file: 35776-96-6.mol

Synonyms:4-(4-Methylbenzoyl)benzoic acid;35776-96-6;Benzoicacid, 4-(4-methylbenzoyl)-;Benzoic acid, 4-(4-methylbenzoyl)-;SCHEMBL4840786;DTXSID00957166

Chemical Property of 4-(4-Methylbenzoyl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.15E-08mmHg at 25°C
• Boiling Point: 444°Cat760mmHg
• Flash Point: 236.5°C
• Density: 1.223g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-(4-Methylbenzoyl)benzoic acid

There total 15 articles about 4-(4-Methylbenzoyl)benzoic 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: 69.0%

(4-(methoxycarbonyl)phenyl)(4-methylphenyl)methanone (64141-11-3) → 4-(4'-methylbenzoyl)benzoic acid (35776-96-6)

Guidance literature:

With potassium hydroxide; water; In methanol; for 2h; Heating;

Reference yield:

1,1-di(4-methylphenyl)ethane (530-45-0) → bis(p-methylphenyl)-methanone (611-97-2) + 4-(4'-methylbenzoyl)benzoic acid (35776-96-6)

Guidance literature:

With sulfuric acid; chromate(VI) ion;

Reference yield:

methanol (67-56-1) + tert-butyl 4-(4'-methylbenzoyl)perbenzoate (71616-80-3) → 4-Methylbenzophenone (134-84-9) + 4-(4'-methylbenzoyl)benzoic acid (35776-96-6) + (4-(methoxycarbonyl)phenyl)(4-methylphenyl)methanone (64141-11-3)

Guidance literature:

Quantum yield; Product distribution; Irradiation;

DOI:10.1021/jo0202278

upstream raw materials:

bis(p-methylphenyl)-methanone

1,1-di(4-methylphenyl)ethane

4-Methoxycarbonylbenzoyl chloride

toluene

Downstream raw materials:

tert-butyl 4-(4'-chloromethylbenzoyl)perbenzoate

tert-butyl 4-(4'-bromomethylbenzoyl)perbenzoate

tert-butyl 4-(4'-methylbenzoyl)perbenzoate

(4-(methoxycarbonyl)phenyl)(4-methylphenyl)methanone