58457-57-1

Basic information

• Product Name: 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID
• Synonyms: 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID;4-(2,4-Dichlorophenyl)-4-oxobutanoic acid
• CAS NO: 58457-57-1
• Molecular Formula: C₁₀H₈Cl₂O₃
• Molecular Weight: 247.07
• Mol File: 58457-57-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 77.5-78 °C(Solv: heptane (142-82-5))
• Boiling Point: 408.739°C at 760 mmHg
• Flash Point: 200.999°C
• Appearance: /
• Density: 1.432g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• Storage Temp.: 2-8°C
• PKA: 4.30±0.17(Predicted)
• CAS DataBase Reference: 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID(58457-57-1)
• EPA Substance Registry System: 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID(58457-57-1)

Safety Data

• Hazardous Substances Data: 58457-57-1(Hazardous Substances Data)

Usage

Description

4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID, also known as 3-(2,4-Dichlorobenzoyl)propionic Acid, is a chemical compound characterized by its 2,4-dichlorophenyl group attached to a 4-oxobutyric acid moiety. This molecule exhibits unique structural features that make it a valuable component in the development of pharmaceutical agents.
Used in Pharmaceutical Industry:
4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID is used as a key intermediate in the synthesis of CCR4 receptor antagonists for the treatment of various inflammatory and autoimmune diseases. Its unique structure allows for the modulation of immune responses, making it a promising candidate for the development of targeted therapies.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID serves as a valuable building block for the design and synthesis of novel compounds with potential therapeutic applications. Its chemical properties and structural features enable the exploration of new drug targets and the optimization of drug candidates for improved efficacy and safety.
Used in Drug Development:
4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID is utilized in the development of new drugs targeting the CCR4 receptor, which plays a crucial role in immune cell trafficking and activation. By inhibiting the CCR4 receptor, these antagonists can help regulate immune responses and provide therapeutic benefits in the treatment of various diseases, including allergies, asthma, and certain types of cancer.

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

Upstream product

• 108-30-5 succinic acid anhydride 
• 541-73-1 1,3-Dichlorobenzene 

Downstream Products

• 873577-66-3 [1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-5-(2,4-dichloro-phenyl)-2-oxo-3-(2-oxo-ethyl)-pyrrolidin-3-yl]-acetaldehyde 
• 873577-57-2 2-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-3-(2,4-dichloro-phenyl)-2-aza-spiro[4.4]non-7-en-1-one 
• 873577-74-3 3,3-diallyl-1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-5-(2,4-dichloro-phenyl)-pyrrolidin-2-one 
• 873577-69-6 2-carboxymethyl-3-(2,4-dichloro-phenyl)-1-oxo-2,8-diaza-spiro[4.5]decane-8-carboxylic acid allyl ester 
• 873577-59-4 [1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-5-(2,4-dichloro-phenyl)-2-oxo-3-(2-oxo-ethyl)-pyrrolidin-3-yl]-acetic acid methyl ester 
• 873577-55-0 3,3-diallyl-1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-5-(2,4-dichloro-phenyl)-pyrrolidin-2-one 
• 873577-67-4 8-benzyl-2-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-3-(2,4-dichloro-phenyl)-2,8-diaza-spiro[4.5]decan-1-one 
• 873577-68-5 2-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-3-(2,4-dichloro-phenyl)-1-oxo-2,8-diaza-spiro[4.5]decane-8-carboxylic acid allyl ester 
• 873577-70-9 2-[3-(2,4-dichloro-phenyl)-1-oxo-2,8-diaza-spiro[4.5]dec-2-yl]-N-(3-piperidin-1-yl-propyl)-acetamide 
• 873577-63-0 (3R,5S)-2-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-8-(3-chloro-2-methyl-benzyl)-3-(2,4-dichloro-phenyl)-2,8-diaza-spiro[4.5]decane-1,7-dione 
• 873577-61-8 (3R,5R)-2-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-8-(3-chloro-2-methyl-benzyl)-3-(2,4-dichloro-phenyl)-2,8-diaza-spiro[4.5]decane-1,7-dione 
• 808186-59-6 (R)-5-(2,4-Dichloro-phenyl)-pyrrolidin-2-one 
• 808186-35-8 5-(2,4-dichloro-phenyl)-1-(2-hydroxy-ethyl)-pyrrolidin-2-one 
• 808186-53-0 (R)-5-(2,4-Dichloro-phenyl)-1-(1-phenyl-vinyl)-pyrrolidin-2-one 

Relevant articles and documents

NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION

The invention provides novel compounds having the general formula wherein R1, R2, R3, X and a are as described in the description and in the claims, as well as or pharmaceutically acceptable salts thereof. The invention also contains compositions including the compounds and methods of using the compounds.