833-85-2

Basic information

• Product Name: 4-p-toluoylbutyric acid
• Synonyms: 4-p-toluoylbutyric acid;4-Methyl-δ-oxobenzenepentanoic acid;5-(4-Methylphenyl)-5-oxypentanoic acid;δ-Oxo-4-methylbenzenevaleric acid;5-keto-5-(4-methylphenyl)valeric acid;Benzenepentanoic acid,4-methyl-d-oxo-
• CAS NO: 833-85-2
• Molecular Formula: C12H14O3
• Molecular Weight: 206.23776
• EINECS: 212-632-6
• Mol File: 833-85-2.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 399.5°C at 760 mmHg
• Flash Point: 209.6°C
• Appearance: /
• Density: 1.137g/cm³
• Vapor Pressure: 4.24E-07mmHg at 25°C
• Refractive Index: 1.536
• CAS DataBase Reference: 4-p-toluoylbutyric acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-p-toluoylbutyric acid(833-85-2)
• EPA Substance Registry System: 4-p-toluoylbutyric acid(833-85-2)

Safety Data

• Hazardous Substances Data: 833-85-2(Hazardous Substances Data)

Usage

Description

4-p-toluoylbutyric acid, also known as 4-(p-methylphenyl)butyric acid, is an organic compound with the chemical formula C11H14O2. It is a derivative of butyric acid, featuring a toluene group attached to the fourth carbon atom. 4-p-toluoylbutyric acid is known for its potential applications in various fields due to its unique chemical structure and properties.

Uses

Used in Pharmaceutical Industry:
4-p-toluoylbutyric acid is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows it to be a versatile building block for the development of new drugs with potential therapeutic applications.
Used in Chemical Synthesis:
In the field of organic chemistry, 4-p-toluoylbutyric acid serves as a valuable reagent for the synthesis of a wide range of organic compounds. Its ability to participate in various chemical reactions makes it a useful component in the creation of new molecules with specific properties.
Used in Research and Development:
4-p-toluoylbutyric acid is utilized in research laboratories for the study of organic reactions and the development of new synthetic methods. Its unique structure and reactivity make it an interesting subject for scientific investigation and the advancement of chemical knowledge.
Used in Material Science:
4-p-toluoylbutyric acid has potential applications in the development of new materials, such as polymers and coatings, due to its chemical properties. Its ability to interact with other molecules and form stable structures can contribute to the creation of innovative materials with specific characteristics.
Used in Anti-inflammatory Applications:
As a reagent, 4-p-toluoylbutyric acid is used in the synthesis of thioxotetrahydropyrimidinyl propanoic acid derivatives, which possess anti-inflammatory activities. This makes it a valuable component in the development of new treatments for inflammatory conditions.

InChI:InChI=1/C12H14O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)

Upstream product

• 827-56-5 1-(4-tolyl)cyclopentene 
• 88636-41-3 5-oxo-5-(p-tolyl)pentanenitrile 
• 108-55-4 glutaric anhydride, 
• 108-88-3 toluene 
• 7446-70-0 aluminium trichloride 
• 630-20-6 1,1,1,2-tetrachoroethane 
• 78195-97-8 1-(p-tolyl)cyclopentan-1-ol 
• 120-92-3 cyclopentanone 
• 4294-57-9 para-methylphenylmagnesium bromide 
• 122-00-9 para-methylacetophenone 
• 5205-39-0 ethyl glutaroyl chloride 
• 42482-94-0 ethyl 5-(4-methylphenyl)-5-oxopentanoate 

Downstream Products

• 4118-50-7 3,4-dihydro-6-p-tolylpyran-2-one 
• 35333-06-3 5-semicarbazono-5-p-tolyl-valeric acid 
• 91720-96-6 4-bromo-5-oxo-5-p-tolyl-valeric acid 
• 102769-21-1 5-Oxo-5-p-tolyl-pentanoyl chloride 
• 777-93-5 5-(p-tolyl)pentanoic acid 
• 420119-86-4 (+/-)-5-(4-methylphenylcarbonyl)dihydrofuran-2(3H)-one 
• 162708-27-2 (E)-5-(4-methylphenyl)-4-hexenoic acid 
• 162708-28-3 δ,4-dimethylbenzenepentanoic acid 
• 162708-31-8 6-(2-Hydroxy-4-methyl-phenyl)-heptan-2-one 
• 162708-32-9 6-(2-acetoxy-4-methylphenyl)-2-heptanone 
• 1242183-70-5 3-(4-(furan-2-yl)-2-thioxo-6-p-tolyl-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid 
• 1242183-69-2 3-(2-thioxo-6-p-tolyl-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid 
• 1242183-66-9 3-(4-(4-hydroxy-3-methoxyphenyl)-2-thioxo-6-p-tolyl-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid 
• 1017209-81-2 C₁₂H₁₆O₃ 

Relevant articles and documents

Method for synthesizing 4-(4-fluorobenzoyl) butyric acid and analogues thereof in continuous flow microreactor

The invention relates to a method for synthesizing 4-(4-fluorobenzoyl) butyric acid and analogues thereof in a continuous flow microreactor, which comprises the following steps: (1) uniformly mixing a compound 1 and a compound 2 to obtain a homogeneous phase solution A; (2) uniformly mixing aluminum trichloride, a compound 1 and an organic solvent to obtain a homogeneous phase solution B; (3) diluting concentrated hydrochloric acid with water to prepare a solution C; and (4) transferring the homogeneous phase solution A and the homogeneous phase solution B into a first micro-reaction module for a Friedel-Crafts acylation reaction, after the reaction is finished, transferring the obtained reaction solution and the solution C into a second micro-reaction module for quenching reaction, and then performing liquid separation, washing and vacuum concentration to obtain a target compound 3; wherein the specific synthesis route is as follows. By adopting the method disclosed by the invention, the target product can be continuously and rapidly synthesized, aluminum trichloride is not needed for treatment, the reaction condition is mild, the reaction time is short, and the yield is high and reaches 90% or above.

Asymmetric hydrogenation reaction γ - or δ - ketonato compound (by machine translation)

The invention relates to the field, of organic chemistry, specifically γ - or δ - keto acid compound asymmetric hydrogenation reaction, reaction formula as follows : Wherein R is H,C. 1 - C6 An alkyl or halogen, is R 1 - 5 in number of substituents . wherein n is 1 or 2;Cat. is a chiral spiro pyrimidyl phosphine ligand iridium complex . and γ - or δ - keto acid compound is subjected to an internal esterification reaction to further prepare a lactone compound. (by machine translation)

Aryl Boronic Acid Catalysed Dehydrative Substitution of Benzylic Alcohols for C?O Bond Formation

A combination of pentafluorophenylboronic acid and oxalic acid catalyses the dehydrative substitution of benzylic alcohols with a second alcohol to form new C?O bonds. This method has been applied to the intermolecular substitution of benzylic alcohols to form symmetrical ethers, intramolecular cyclisations of diols to form aryl-substituted tetrahydrofuran and tetrahydropyran derivatives, and intermolecular crossed-etherification reactions between two different alcohols. Mechanistic control experiments have identified a potential catalytic intermediate formed between the aryl boronic acid and oxalic acid.