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

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

Uses

Used in Pharmaceutical Industry:
4-(2,5-dimethylphenyl)butanoic acid is used as a key intermediate in the synthesis of pharmaceuticals for its potential to contribute to the development of new drugs. Its unique chemical structure allows for the creation of molecules with specific therapeutic properties, making it valuable in medicinal chemistry and drug discovery.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(2,5-dimethylphenyl)butanoic acid is utilized as an intermediate in the production of various agrochemicals. Its role in the synthesis of these compounds aids in the development of effective solutions for agricultural applications, such as pesticides and herbicides.
Used in Research and Development:
4-(2,5-dimethylphenyl)butanoic acid is employed as a research compound in the fields of medicinal chemistry and drug discovery. Its potential biological activity and chemical properties make it a promising candidate for exploring new avenues in pharmaceutical development and understanding its interactions with biological systems.
Given its diverse applications and the potential for further exploration in various industries, 4-(2,5-dimethylphenyl)butanoic acid holds significant value in the realm of chemical synthesis and innovation.

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 
• 35031-53-9 1-(2,5-dimethylphenyl)-1-butanone 
• 5394-59-2 4-(2,5-dimethylphenyl)-4-oxobutanoic acid 
• 30084-95-8 methyl 4-(2,5-dimethylphenyl)-4-oxobutanoic acid 
• 86119-84-8 phosphoric acid 
• 5037-63-8 5,8-dimethyltetralone 
• 627-00-9 γ-chlorobutyric acid 

Downstream Products

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

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.

A new synthesis of occidol

Sodium borohydride reduction of 5,8-dimethyl-3,4-dihydronaphthalen-1-(2H)-one (4) yielded 5,8-dimethyl-1,2,3,4-tetrahydro-1-naphthol (5). The tetralol 5 on Vilsmeier-Haack reaction with N,N-dimethylacetamide yielded 1-(5,8-dimethyl-3,4-dihydro-2-naphthyl)

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.

Direct synthesis of γ-butyrolactones via γ-phenyl substituted butyric acids mediated benzyl radical cyclization

Synthesis of several γ-butyrolactones with aromatic substitution at carbon 5 from comparative γ-aryl acids with 25-85% yield are covered. The straight oxidation in the presence of peroxydisulphate-copper(II)chloride system in aqueous medium was applied. The reaction is highly regioselective and leads exclusively to γ-butyrolactone, through stable benzylic radical intermediate.

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.

Modern Friedel-Crafts chemistry XIII. Intra- and intermolecular cyclization of some carbonyl derivatives under Friedel-Crafts conditions

Carbonyl group deactivation in the cycloalkylation of aryl haloalkyl ketones was studied.Ketones 1-5 were prepared and subjected to treatment with AlCl3, AlCl3/H2SO4 and H2SO4 catalysts.Whereas AlCl3 catalyst gave no cyclization products, the use of AlCl3/H2SO4 and H2SO4 catalysts afforded the corresponding indanones and/or tetralones (6-11).The intermediate p-methylacrylophenone (12) was also obtained in the case of ketone 2.Furthermore intermolecular cyclizations of benzene, toluene and p-xylene with 3-chloropropionyl chloride (13) and 4-chlorobutyryl chloride (14) were investigated.In the presence of AlCl3/CH3NO2 catalyst, only the corresponding aryl haloalkyl ketones (1-5) were formed whereas the use of AlCl3 catalyst gave, in addition, some cyclic ketones.However, the use of AlCl3/H2SO4 catalyst gave only the corresponding cyclic ketones (6-11).Results are discussed and mechanisms are suggested.In conclusion, carbonyl group deactivation for ring closure is demonstrated in the investigated ketones and cyclization can only effected under strenuous conditions.