64779-10-8

Basic information

• Product Name: 4-(4-OCTYLPHENYL)-4-OXOBUTANOIC ACID
• Synonyms: 4-(4-OCTYLPHENYL)-4-OXOBUTANOIC ACID;3-(4-Octylbenzoyl)-propionic acid;3-(4-N-OCTYLBENZOYL)PROPIONIC ACID
• CAS NO: 64779-10-8
• Molecular Formula: C₁₈H₂₆O₃
• Molecular Weight: 290.4
• Mol File: 64779-10-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 91 °C
• Boiling Point: 463.4°C at 760 mmHg
• Flash Point: 248.2°C
• Appearance: /
• Density: 1.035g/cm³
• Vapor Pressure: 2.2E-09mmHg at 25°C
• Refractive Index: 1.514
• PKA: 4.57±0.17(Predicted)
• CAS DataBase Reference: 4-(4-OCTYLPHENYL)-4-OXOBUTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-OCTYLPHENYL)-4-OXOBUTANOIC ACID(64779-10-8)
• EPA Substance Registry System: 4-(4-OCTYLPHENYL)-4-OXOBUTANOIC ACID(64779-10-8)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• Hazardous Substances Data: 64779-10-8(Hazardous Substances Data)

Usage

General Description

4-(4-Octylphenyl)-4-oxobutanoic acid is a chemical compound with the molecular formula C18H24O3. It is a member of the class of compounds known as benzoic acids and derivatives. This chemical is commonly used in pharmaceutical and research applications due to its potential biological activities, including anti-inflammatory and antioxidant properties. Its structure consists of a benzene ring with an octyl group attached to one of the phenyl rings, and a 4-oxobutanoic acid group. 4-(4-OCTYLPHENYL)-4-OXOBUTANOIC ACID is of interest for its potential therapeutic applications and is the subject of ongoing research in the field of medicinal chemistry and drug development.

InChI:InChI=1/C18H26O3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(20)21/h9-12H,2-8,13-14H2,1H3,(H,20,21)

Upstream product

• 108-30-5 succinic acid anhydride 
• 2189-60-8 Octylbenzene 

Downstream Products

• 1026030-36-3 [5-(2-Chloro-phenyl)-7-[2-(4-octyl-phenyl)-ethyl]-1,3-dihydro-thieno[2,3-e][1,4]diazepin-(2Z)-ylidene]-hydrazine 
• 1026656-39-2 N-{3-(2-Chloro-benzoyl)-5-[2-(4-octyl-phenyl)-ethyl]-thiophen-2-yl}-2-iodo-acetamide 
• 183130-03-2 2-Chloro-N-{3-(2-chloro-benzoyl)-5-[2-(4-octyl-phenyl)-ethyl]-thiophen-2-yl}-acetamide 
• 183130-14-5 2-Amino-N-{3-(2-chloro-benzoyl)-5-[2-(4-octyl-phenyl)-ethyl]-thiophen-2-yl}-acetamide 
• 122854-29-9 5-(2-Chloro-phenyl)-7-[2-(4-octyl-phenyl)-ethyl]-1,3-dihydro-thieno[2,3-e][1,4]diazepin-2-one 
• 183129-96-6 {2-Amino-5-[2-(4-octyl-phenyl)-ethyl]-thiophen-3-yl}-(2-chloro-phenyl)-methanone 
• 183129-88-6 4-(4-Octyl-phenyl)-butyraldehyde 
• 183129-84-2 4-(4'-n-octylphenyl)butan-1-ol 
• 207132-59-0 4-(4-octyl-phenyl)-butyric acid 

Relevant articles and documents

Structural optimization of 4-(2-chlorophenyl)-9-methyl-6H-thieno [3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepines as antagonists for platelet activating factor: Pharmacological contribution of substituents at the 2- and 6-positions of a condensed ring system

A series of 4-(2-chlorophenyl)-9-methyl-6H-thieno [3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives bearing substituents at the 2- and 6-positions were synthesized, and evaluated in vitro for their inhibitory activity on rabbit platelet aggregation induced by platelet activating factor (PAF) and in vivo for their preventing effect on PAF-induced mortality in mice. The length of alkyl or arylalkyl side chain at the 2-position was responsible for enhancing the affinity for the PAF receptor. The simultaneous substitution at both the 2- and 6-positions resulted in a successful separation of the affinity for the PAF receptor from that for the benzodiazepine (BZ) receptor. Thus, (±)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]- 6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4] diazepine (Y-24180) was confirmed to be a specific antagonist for the PAF receptor and is currently under clinical trials.