1453-06-1

Basic information

• Product Name: 4-(2,5-dimethylphenyl)butanoic acid
• Synonyms: 4-(2,5-dimethylphenyl)butanoic acid;2,5-Dimethylbenzene-1-butyric acid;2,5-Dimethylbenzenebutanoic acid;γ-(2,5-Dimethylphenyl)butyric acid
• CAS NO: 1453-06-1
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.2542
• Mol File: 1453-06-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 325.4°Cat760mmHg
• Flash Point: 222.4°C
• Appearance: /
• Density: 1.053g/cm³
• Vapor Pressure: 9.44E-05mmHg at 25°C
• Refractive Index: 1.529
• CAS DataBase Reference: 4-(2,5-dimethylphenyl)butanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2,5-dimethylphenyl)butanoic acid(1453-06-1)
• EPA Substance Registry System: 4-(2,5-dimethylphenyl)butanoic acid(1453-06-1)

Safety Data

• Hazardous Substances Data: 1453-06-1(Hazardous Substances Data)

Usage

General Description

4-(2,5-dimethylphenyl)butanoic acid is a chemical compound with the chemical formula C14H18O2. It is a carboxylic acid derivative with a molecular weight of 218.29 g/mol. 4-(2,5-dimethylphenyl)butanoic acid is a white to off-white powder with a melting point of 75-78 °C. It is mainly used as an intermediate for the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It also has potential applications in research and development, particularly in the fields of medicinal chemistry and drug discovery. Additionally, it may have biological activity and therefore could be of interest in the development of new pharmaceuticals.

InChI:InChI=1/C12H16O2/c1-9-6-7-10(2)11(8-9)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)

Upstream product

• 96-48-0 4-butanolide 
• 106-42-3 para-xylene 
• 30084-95-8 methyl 4-(2,5-dimethylphenyl)-4-oxobutanoic acid 
• 627-00-9 γ-chlorobutyric acid 
• 86119-84-8 phosphoric acid 
• 5037-63-8 5,8-dimethyltetralone 
• 5394-59-2 4-(2,5-dimethylphenyl)-4-oxobutanoic acid 
• 35031-53-9 1-(2,5-dimethylphenyl)-1-butanone 

Downstream Products

• 57821-75-7 5-(2,5-dimethylphenyl)dihydrofuran-2-one 
• 859781-87-6 2-(4-bromo-butyl)-1,4-dimethyl-benzene 
• 139935-13-0 ethyl γ-(2,5-dimethylphenyl)-2-formyl butyrate 
• 113795-21-4 6-{4-[4-(2,5-Dimethyl-phenyl)-butyl]-phenoxy}-2,2-dimethyl-hexanoic acid 
• 113795-43-0 2-{4-[4-(4-Bromo-butoxy)-phenyl]-butyl}-1,4-dimethyl-benzene 
• 113795-50-9 4-(2,5-Dimethyl-phenyl)-1-(4-methoxy-phenyl)-butan-1-one 
• 113795-52-1 2-[4-(4-Methoxy-phenyl)-butyl]-1,4-dimethyl-benzene 
• 113795-45-2 4-[4-(2,5-Dimethyl-phenyl)-butyl]-phenol 
• 32820-12-5 5,8-Dimethyl-1-tetralol 
• 854464-63-4 4-(2,5-dimethylphenyl)butan-1-ol 
• 113795-48-5 4-(p-xylyl)butyric acid chloride 

Relevant articles and documents

A new synthesis of 5,8-dimethyl-2-tetralone - A potential intermediate for the synthesis of ring-A aromatic sesquiterpenes. Novel transformation during acetoxylation of 5,8-dimethyldihydronapthalene

An efficient synthesis of 5,8-dimethyl-2-tetralone 4 starting from 5,8-dimethyl-1-tetralone 2 is described. It was converted into the unsaturated derivative 3, which on epoxidation followed by acid hydrolysis yielded tetralone 4. Acetoxylation of 3 with manganese(III) acetate and potassium bromide afforded dimethylnaphthalene 8 and derivative 9.

Synthesis of Medium-Ring-Sized Benzolactams by Using Strong Electrophiles and Quantitative Evaluation of Ring-Size Dependency of the Cyclization Reaction Rate

Benzolactams with medium-sized rings were synthesized via the electrophilic aromatic substitution reaction of carbamoyl cations (R1R2N+═C═O) in good to high yields without dilution. These reactions were utilized to quantitatively examine the extent of retardation of medium-sized ring formation, compared to five- or six-membered ring formation. The order of reaction rates of formation of cyclic benzolactams is six- > five- > seven- > eight- > nine-membered ring at 25 °C. The present reaction provides a route to eight- A nd nine-membered benzolactams.

SCHWEFELVERBINDUNGEN DES ERDOELS XV. METHYL-5,6,7,8-TETRAHYDRODINAPHTHOTHIOPHENE UND METHYLDINAPHTHOTHIOPHENE

A one pot synthesis gives methyl-5,6,7,8-tetrahydrodinaphthothiophenes (7) from methyl-1,2,3,4-tetrahydronaphthalen-1-ones (1) by bromination and sulfurization.Tetrahydro compounds 7 have been dehydrogenated to corresponding dinaphthothiophenes 8.Proofs for the constitutions are nmr data of 7, 8 and the independent synthesis of one compound 8.A reaction mechanism with 1,4-dithiine intermediates is discussed. Key words: Alkyl-1,2,3,4-tetrahydronaphthalen-1-ones; alkyl-5,6,7,8-tetrahydrodinaphthothiophenes; alkyldinaphthothiophenes; dehydrogenation with o-chlorobenzoquinone.