50597-19-8

Basic information

• Product Name: 4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID
• Synonyms: 4-(3,4-DICHLOROPHENYL)-4-OXOBUTANOIC ACID;4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID;AKOS AKM00953;OTAVA-BB 1043527
• CAS NO: 50597-19-8
• Molecular Formula: C₁₀H₈Cl₂O₃
• Molecular Weight: 247.07
• Mol File: 50597-19-8.mol
• Article Data: 21

Chemical Properties

• Melting Point: 166-167 °C(Solv: ethanol (64-17-5))
• Boiling Point: 447.1 °C at 760 mmHg
• Flash Point: 224.2 °C
• Appearance: /
• Density: 1.432 g/cm³
• Vapor Pressure: 8.9E-09mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.30±0.17(Predicted)
• CAS DataBase Reference: 4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID(50597-19-8)
• EPA Substance Registry System: 4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID(50597-19-8)

Safety Data

• Hazardous Substances Data: 50597-19-8(Hazardous Substances Data)

Usage

General Description

4-(3,4-Dichlorophenyl)-4-oxobutyric acid, also known as 3,4-dichloro-4-oxobutyric acid, is a chemical compound with the molecular formula C10H7Cl2O3. It is a derivative of dichlorophenyl and oxobutyric acid, and it is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID is a white to off-white solid and is soluble in organic solvents such as methanol, ethyl acetate, and chloroform. It is primarily used as a building block in organic synthesis for the production of various chemical compounds, and its broad range of applications makes it an important chemical in the fields of pharmaceuticals, agriculture, and other industries.

InChI:InChI=1/C10H8Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)

Upstream product

• 108-30-5 succinic acid anhydride 
• 95-50-1 1,2-dichloro-benzene 
• 18282-59-2 4-bromo-1,2-dichlorobenzene 

Downstream Products

• 118528-87-3 4-(3,4-dichlorophenyl)-4-hydroxybutanoic acid 
• 147189-93-3 (R)-(+)-5-(3,4-dichlorophenyl)dihydrofuran-2(3H)-one 
• 147189-99-9 4-(3,4-Dichlorophenyl)-4-oxobutanoic acid 1,1-dimethylethyl ester 
• 25157-66-8 4-(3,4-dichlorophenyl)butanoic acid 
• 36725-34-5 6-(3,4-dichlorophenyl)-4,5-dihydro-3(2H)-pyridazinone 
• 95652-74-7 methyl 4-(3',4'-dichlorophenyl)-4-oxo-butanoate 
• 191673-42-4 methyl 4-(3,4-dichlorophenyl)-4-pentenoate 
• 191673-43-5 tert-butyl-[4-(3,4-dichloro-phenyl)-pent-4-enyloxy]-dimethyl-silane 
• 191673-46-8 (2R)-1-amino-5-(t-butyldimethylsilyloxy)-2-(3,4-dichlorophenyl)-2-pentanol 
• 191673-44-6 (2R)-5-(t-butyldimethylsilyloxy)-2-(3,4-dichlorophenyl)pentane-1,2-diol 
• 191673-45-7 (2R)-1-azido-5-(t-butyldimethylsilyloxy)-2-(3,4-dichlorophenyl)-2-pentanol 
• 159800-51-8 3-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyridazine 

Relevant articles and documents

Utility of novel 2-furanones in synthesis of other heterocyclic compounds having anti-inflammatory activity with dual COX2/LOX inhibition

Inflammation is associated with the development of several diseases comprising cancer and cardiovascular disease. Agents that suppress cyclooxygenase (COX) and lipoxygenase (LOX) enzymes, besides chemokines have been suggested to minimise inflammation. Here, a variety of novel heterocyclic and non-heterocyclic compounds were prepared from novel three furanone derivatives. The structures of all synthesised compounds were confirmed by elemental and spectral analysis including mass, IR, and 1H-NMR spectroscopy. Anti-inflammatory activities of these synthesised compounds were examined in?vitro against COX enzymes, 15-LOX, and tumour necrosis factor-α (TNF-α), using inhibition screening assays. The majority of these derivatives showed significant to high activities, with three pyridazinone derivatives (5b, 8b, and 8c) being the most promising anti-inflammatory agents with dual COX-2/15-LOX inhibition activities along with high TNF-α inhibition activity.

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)

Synthesis, anti-convulsant activity and molecular docking study of novel thiazole pyridazinone hybrid analogues

Pyridazinone analogues have been known to be potential candidates for anticonvulsant agents. We have identified several pyridazinone-based anticonvulsant agents. As a continuation to our previous research, a series of hybrid pyridazinone-thiazole connected through amide linkage were designed and synthesized. Among these, compound SP-5F demonstrated significant anticonvulsant activity with median effective dose of 24.38 mg/kg (MES) and 88.23 mg/kg (scPTz). Results of GABA estimation showed a marked increase in the GABA level when compared with control. Molecular docking studies at the active site of GABA receptor, further confirmed the GABA modulatory effects of SP-5F.