2-Benzoyl-4-methylbenzoic acid

Base Information

• Chemical Name: 2-Benzoyl-4-methylbenzoic acid
• CAS No.: 2158-92-1
• Molecular Formula: C15H12O3
• Molecular Weight: 240.258
• DSSTox Substance ID: DTXSID901306678
• Mol file: 2158-92-1.mol

Synonyms:2158-92-1;2-benzoyl-4-methylbenzoic acid;benzoic acid,2-benzoyl-4-methyl-;SCHEMBL9217336;DTXSID901306678

Chemical Property of 2-Benzoyl-4-methylbenzoic acid

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Benzoyl-4-methylbenzoic acid

There total 5 articles about 2-Benzoyl-4-methylbenzoic 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: 75.0%

p-Toluic acid (99-94-5) + Benzoylformic acid (611-73-4) → carboxy-2 methyl-5 benzophenone (2158-92-1)

Guidance literature:

With palladium(II) trifluoroacetate; silver carbonate; In 1,2-dimethoxyethane; at 150 ℃; for 48h; chemoselective reaction; Sealed tube;

DOI:10.1021/ol400919u

Reference yield:

2,5-dimethylbenzophenone (4044-60-4) → 5-methyl-3-phenylisobenzofuran-1-(3H)-one (22297-05-8) + 5-Methyl-2-formylbenzophenon (90445-39-9) + 2-methylanthracene-9,10-dione (84-54-8) + carboxy-2 methyl-5 benzophenone (2158-92-1)

Guidance literature:

With oxygen; In benzene; for 24h; Mechanism; Product distribution; Ambient temperature; Irradiation; effect of wavelenght and solvent;

Reference yield:

4-methylphthalic anhydride (19438-61-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → carboxy-2 methyl-5 benzophenone (2158-92-1) + 4-methylbenzophenone-2-carboxylic acid (1147-41-7)

Guidance literature:

With aluminium trichloride;

DOI:10.1039/jr9300001513

upstream raw materials:

4-methylphthalic anhydride

benzene

5-methoxyisobenzofuran-1,3-dione

2,5-dimethylbenzophenone

Downstream raw materials:

4,N-dimethyl-2-benzoylbenzanilide

2-methylanthracene-9,10-dione

Refernces

• 1、 Miao, Jinmin,Ge, Haibo. "Palladium-catalyzed chemoselective decarboxylative ortho acylation of benzoic acids with α-oxocarboxylic acids". supporting information. p. 2930 - 2933. Retrieved 2013/07/26.