2159-42-4

Basic information

• Product Name: 2-(3,4-DIMETHYLBENZOYL)BENZOIC ACID
• Synonyms: 3',4'-DIMETHYLBENZOPHENONE-2-CARBOXYLIC ACID;2-(3,4-DIMETHYLBENZOYL)BENZOIC ACID;AKOS BBS-00000727;2-[(3,4-dimethylphenyl)-oxomethyl]benzoic acid
• CAS NO: 2159-42-4
• Molecular Formula: C₁₆H₁₄O₃
• Molecular Weight: 254.28
• Mol File: 2159-42-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 168 °C
• Boiling Point: 468.6 °C at 760 mmHg
• Flash Point: 251.3 °C
• Appearance: /
• Density: 1.195 g/cm³
• Vapor Pressure: 1.39E-09mmHg at 25°C
• Refractive Index: 1.598
• Solubility: soluble in Methanol
• PKA: 3.43±0.36(Predicted)
• CAS DataBase Reference: 2-(3,4-DIMETHYLBENZOYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3,4-DIMETHYLBENZOYL)BENZOIC ACID(2159-42-4)
• EPA Substance Registry System: 2-(3,4-DIMETHYLBENZOYL)BENZOIC ACID(2159-42-4)

Safety Data

• Hazardous Substances Data: 2159-42-4(Hazardous Substances Data)

Usage

General Description

2-(3,4-dimethylbenzoyl)benzoic acid, also known as Dibenzoylbenzoic acid, is a chemical compound with the molecular formula C15H12O3. It is a white crystalline solid with a melting point of 178-180°C and is primarily used as an intermediate in the production of various organic compounds. It is commonly employed as a reagent in organic synthesis for the preparation of benzotriazole derivatives, which have potential applications as corrosion inhibitors, UV stabilizers, and pharmaceutical intermediates. 2-(3,4-DIMETHYLBENZOYL)BENZOIC ACID is also used in the manufacturing of dyes, pigments, and plastics. Additionally, 2-(3,4-dimethylbenzoyl)benzoic acid has been studied for its potential use as a sunscreen agent due to its UV-absorbing properties.

InChI:InChI=1/C16H14O3/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16(18)19/h3-9H,1-2H3,(H,18,19)

Upstream product

• 95-47-6 o-xylene 
• 88-95-9 Phthaloyl dichloride 
• 85-44-9 phthalic anhydride 
• 7446-70-0 aluminium trichloride 

Downstream Products

• 613-06-9 2,3-dimethylanthracene 
• 1055981-48-0 (S)-2-(3',4'-dimethylbenzoyl)-N-(α-phenylethyl)benzamide 
• 14189-53-8 3,4-dimethylbenzhydrol 
• 292858-20-9 4-(3,4-dimethylphenyl)-2,3-1H-benzoxazine-1-thione 
• 317324-52-0 4-(3,4-dimethylphenyl)-2-(2-nitro-5-piperidinophenyl)-1,2-dihydro-1-phthalazinone 
• 339303-85-4 2-(2-amino-5-chlorophenyl)-4-(3,4-dimethylphenyl)-1,2-dihydro-1-phthalazinone 
• 329922-55-6 4-(3,4-dimethylphenyl)-2-(2-nitro-5-chlorophenyl)-1,2-dihydrophthalazin-1(2H)-one 
• 65-85-0 benzoic acid 
• 619-04-5 3,4-dimethylbenzoic acid 
• 5466-99-9 4-(2-carboxybenzoyl)phthalic acid 
• 6531-35-7 2,3-dimethylanthraquinone 
• 3285-98-1 1,2-Dimethyl-anthrachinon 
• 143390-65-2 9b-(3,4-dimethyl-phenyl)-2,3-dihydro-9bH-[1,3]thiazolo[2,3-a]isoindol-5-one 
• 1855-20-5 4-(3,4-dimethyl-phenyl)-benzo[d][1,2]oxazin-1-one 

Relevant articles and documents

Mechanochemical Friedel-crafts acylations

Friedel-Crafts (FC) acylation reactions were exploited in the preparation of ketone-functionalized aromatics. Environmentally more friendly, solvent-free mechanochemical reaction conditions of this industrially important reaction were developed. Reaction parameters such as FC catalyst, time, ratio of reagents and milling support were studied to establish the optimal reaction conditions. The scope of the reaction was explored by employment of different aromatic hydrocarbons in conjunction with anhydrides and acylation reagents. It was shown that certain FC-reactive aromatics could be effectively functionalized by FC acylations carried out under ball-milling conditions without the presence of a solvent. The reaction mechanism was studied by in situ Raman and ex situ IR spectroscopy.

An alternative route to syntheses of aryl keto acids in a chloroaluminate ionic liquid

The Lewis acidic 1-butyl-3-methylimidazolium chloroaluminate ionic liquid [bmim]Cl.AlCl3, N=0.67, is employed as a catalyst as well as the solvent for the quick and efficient syntheses of aryl keto acids by Friedel-Crafts acylation and aroylation of aromatic hydrocarbons using cyclic acid anhydrides.

INVESTIGATION OF THE COMPOSITION OF PETROLEUM ANTHRACENE HYDROCARBONS

The optimum conditions of adduct formation with maleic anhydride for the isolation of ca. 100percent anthracene hydrocarbons from a mixture with phenanthrenes and other compounds are set out.Gas-liquid chromatography has been used to study the individual composition of anthracene and C1-C3 anthracenes isolated by the method proposed from concentrates of triaromatic hydrocarbons of crude oils from the Okha, Katangli (Sakhalin) and Dorokhovsk (Urals-Volga) fields.With the aid of the individual compounds synthesized, for the first time 2-ethylanthracene and 1,3- and 2,3-dimethylanthracene have been identified in crude oils, and the retention indices have also been calculated for certain C2- and C3-substituted anthracene hydrocarbons for chromatographic phase SE-54.