113282-74-9

Basic information

• Product Name: (2Z)-2-HYDROXY-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENOIC ACID
• Synonyms: ART-CHEM-BB B024735;(2Z)-2-HYDROXY-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENOIC ACID;AKOS B024735;2-Hydroxy-4-oxo-4-(p-tolyl)but-2-enoic acid
• CAS NO: 113282-74-9
• Molecular Formula: C₁₁H₁₀O₄
• Molecular Weight: 206.19
• Mol File: 113282-74-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 130-132 °C
• Boiling Point: 397.3±42.0 °C(Predicted)
• Appearance: /
• Density: 1.323±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 3.11±0.19(Predicted)
• CAS DataBase Reference: (2Z)-2-HYDROXY-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (2Z)-2-HYDROXY-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENOIC ACID(113282-74-9)
• EPA Substance Registry System: (2Z)-2-HYDROXY-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENOIC ACID(113282-74-9)

Safety Data

• Hazardous Substances Data: 113282-74-9(Hazardous Substances Data)

Usage

General Description

(2Z)-2-HYDROXY-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENOIC ACID, also known as 4-(4-methylphenyl)-2-butenoic acid, is a chemical compound with the molecular formula C11H10O3. It is a derivative of 4-methylphenylacrylic acid and is classified as a carboxylic acid. (2Z)-2-HYDROXY-4-(4-METHYLPHENYL)-4-OXOBUT-2-ENOIC ACID is commonly used in organic synthesis and pharmaceutical research, and it has been found to have potential pharmacological and therapeutic properties. Additionally, it has been studied for its antioxidant and anti-inflammatory effects, making it potentially useful in the development of new medications. However, further research is needed to fully understand the biological and pharmacological properties of this compound.

Upstream product

• 113416-42-5 5-methoxycarbonyl-3,5-dihydroxy-4-p-toluoyl-1-phenyl-2,5-dihydro-2-pyrrolone 
• 122-00-9 para-methylacetophenone 
• 95-92-1 oxalic acid diethyl ester 
• 113416-20-9 (Z)-4-Oxo-2-phenylamino-4-p-tolyl-but-2-enoic acid methyl ester 
• 113416-52-7 4-Hydroxy-2-methoxy-3-(4-methyl-benzoyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid methyl ester 
• 113416-31-2 3-(4-Methyl-benzoyl)-4,5-dioxo-1-phenyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid methyl ester 

Downstream Products

• 1391950-42-7 7,7-dimethyl-2-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydroquinoline-4-carboxylic acid 
• 1204523-51-2 C₂₅H₂₀N₂O₄ 
• 1196034-04-4 2-(2-methyl-5-nitrophenylamino)-4-(4-methylphenyl)-4-oxobut-2-enoic acid 
• 1196034-07-7 4-(4-methylphenyl)-4-oxo-2-[N-(4-ethoxycarbonylphenyl)]aminobut-2-enoic acid 
• 406929-20-2 (Z)-4-Oxo-2-phenylamino-4-p-tolyl-but-2-enoic acid 

Relevant articles and documents

Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids

Redox properties of a set of aryldiketo acids (ADKs), small organic molecules that comprise 2,4-dioxobutanoic acid moiety, were studied. Along with well-known HIV-1 integrase (IN) inhibition, ADKs exert widespread biological activities. The aim of this work was to evaluate the effects of aryl substitutions on the properties of the dioxobutanoic moiety that is involved in key interactions with metal ions within the active sites of target enzymes. The effect of pH on the electronic properties of nine congeners was examined using cyclic voltammetry and differential pulse polarography. The compounds were chosen as a simple set of congeners bearing Me-groups on the phenyl ring, which should not be involved in electrochemical reactions, leaving the diketo moiety as the sole electrophore. The substitution pattern was systematically varied, yielding a set having different torsion between the phenyl ring and the aryl keto group (Ar-C(O)). The protonation state of the ADKs at different pH values was determined from the experimentally obtained pKa values. The results showed that an equal number of protons and electrons were involved in the oxidation and reduction reactions at the surface of the electrode. Quantitative linear correlations were found between the reduction potentials and the energies of the frontier orbitals, calculated for neutral, mono-anionic and the corresponding radical anionic species, and the steric parameter as two independent variables.