5398-16-3

Basic information

• Product Name: 2-(4-methylbenzyl)benzoic acid
• CAS NO: 5398-16-3
• Molecular Formula: C₁₅H₁₄O₂
• Molecular Weight: 226.2705
• Mol File: 5398-16-3.mol

Chemical Properties

• Boiling Point: 377.7°C at 760 mmHg
• Flash Point: 176°C
• Density: 1.144g/cm³
• Vapor Pressure: 2.23E-06mmHg at 25°C
• Refractive Index: 1.596
• CAS DataBase Reference: 2-(4-methylbenzyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-methylbenzyl)benzoic acid(5398-16-3)
• EPA Substance Registry System: 2-(4-methylbenzyl)benzoic acid(5398-16-3)

Safety Data

• Hazardous Substances Data: 5398-16-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
2-(4-methylbenzyl)benzoic acid is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals for its ability to be incorporated into complex organic molecules, enhancing their efficacy and properties.
Used in Fragrance Industry:
In the fragrance industry, 2-(4-methylbenzyl)benzoic acid is used as a component in creating various scents, capitalizing on its aromatic nature to contribute to the overall olfactory profile of fragrances.
Used in Dye Production:
2-(4-methylbenzyl)benzoic acid is also utilized in the production of dyes, where its chemical structure allows for the development of colorants with specific properties for various applications.
Used in Organic Compound Synthesis:
2-(4-methylbenzyl)benzoic acid serves as a building block in the synthesis of other organic compounds, providing a foundation for creating a wide range of chemical products.
Used in Research for Anti-inflammatory and Antioxidant Properties:
2-(4-methylbenzyl)benzoic acid has been studied for its potential anti-inflammatory and antioxidant properties, indicating its use in research aimed at developing new therapeutic agents or supplements to combat inflammation and oxidative stress.

Upstream product

• 85-55-2 2-(4-toluoyl)benzoic acid 
• 67104-71-6 1-bromo-2-(4-methylbenzyl)benzene 
• 21615-75-8 3-(4-tolyl)-isobenzofuranone 
• 7664-41-7 ammonia 
• 4294-57-9 para-methylphenylmagnesium bromide 
• 6630-33-7 ortho-bromobenzaldehyde 
• 59142-66-4 (2-bromophenyl)(p-tolyl)methanol 
• 624-31-7 4-tolyl iodide 
• 108-88-3 toluene 
• 85-44-9 phthalic anhydride 
• 124-38-9 carbon dioxide 

Downstream Products

• 103442-22-4 2-methyl-9-phenyl-anthracene 
• 102310-87-2 2-methyl-9-phenyl-9,10-dihydro-anthracene 
• 21615-75-8 3-(4-tolyl)-isobenzofuranone 
• 37459-57-7 3-(4-Methylphenyl)-1-oxo-2,3-dihydroisoindol 
• 10324-07-9 2-<(4-methylphenyl)methyl>phenylacetic acid 
• 10324-27-3 [2-(4-Methyl-benzyl)-phenyl]-acetonitrile 
• 10324-28-4 C₁₅H₁₅Br 
• 94001-43-1 o-(p-Methyl-benzyl)-benzylalkohol 
• 84-54-8 2-methylanthracene-9,10-dione 

Relevant articles and documents

A Novel Three-Step Tandem Reaction for Efficient Syntheses of Bulky Anthracenyl Esters from 2-Benzylbenzoic Acids

Bulky anthracenyl esters could be efficiently synthesized from 2-benzylbenzoic acids via a novel three-step tandem reaction containing intramolecular Friedel-Crafts acylation, enolization, and esterification. A mechanism for the tandem reaction is proposed.

Direct Synthesis of γ-Substituted Phthalides Via ortho-Aryl Benzoic Acid Mediated Benzyl Radical Cyclization

Direct synthesis of γ-substituted phthalids from related ortho-aryl benzoic acids with 48-85% yield are covered. The direct oxidation in the presence of peroxydisulphate-copper (II) chloride in aqueous medium was applied. The reaction is highly regioselective and leads exclusively to γ-butyrolactone, through very stable benzylic radical intermediate.

Direct synthesis of γ-substituted phthalides by cyclization of benzyl radicals generated from o-(arylmethyl)benzoic acids

Direct oxidation of o-(arylmethyl)benzoic acids with sodium peroxysulfate-copper(II) chloride in water yields γ-substituted phthalides. The reaction is highly regioselective, and the corresponding γ-butyro-lactones are the only products formed through intermediate stable arylmethyl radicals.

Reductive cleavage of phthalides with iodotrimethylsilane

A convenient reductive cleavage of 3-arylphthalides 1 into corresponding 2-benzylbenzoic acids and 2-(2-thienylmethyl)benzoic acid 2 by using iodotrimethylsilane is described.

Orthobromodiphenylmethane derivatives as starting materials for the total synthesis of anthraquinones

In this communication we describe the synthesis of four simple anthraquinones by a five-step sequence, using easily available bromobenzaldehydes and phenyllithium derivatives as starting materials.