72271-71-7

Basic information

• Product Name: 4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID
• Synonyms: 4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID;4-[4-(1-BUTYL)PHENYL]-4-OXOBUTYRIC ACID;3-(4-N-BUTYLBENZOYL)PROPIONIC ACID;3-(4-Butylbenzoyl)-propionic acid;4-(4-butylphenyl)-4-oxobutanoic acid
• CAS NO: 72271-71-7
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• Mol File: 72271-71-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 109-111°C
• Boiling Point: 418.7 °C at 760 mmHg
• Flash Point: 221.2 °C
• Appearance: /
• Density: 1.092 g/cm³
• Vapor Pressure: 9.28E-08mmHg at 25°C
• Refractive Index: 1.527
• Storage Temp.: 2-8°C
• PKA: 4.57±0.17(Predicted)
• CAS DataBase Reference: 4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID(72271-71-7)
• EPA Substance Registry System: 4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID(72271-71-7)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 72271-71-7(Hazardous Substances Data)

Usage

General Description

4-(4-N-butylphenyl)-4-oxobutyric acid is a chemical compound that belongs to the class of organic compounds known as phenyl ketones. It is a derivative of butyric acid and contains a butyl group attached to the phenyl ring. 4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID is often used as a precursor in the synthesis of various pharmaceuticals and agrochemicals. It has also been studied for its potential biological activities, including anti-inflammatory and analgesic properties. Additionally, it has been investigated for its role in the development of new materials and polymers.

InChI:InChI=1/C14H18O3/c1-2-3-4-11-5-7-12(8-6-11)13(15)9-10-14(16)17/h5-8H,2-4,9-10H2,1H3,(H,16,17)

Upstream product

• 108-30-5 succinic acid anhydride 
• 104-51-8 1-butylbenzene 

Downstream Products

• 20651-71-2 4-butyl benzoic acid 
• 25663-65-4 4-(4'n-butylphenyl)butanoic acid 
• 115199-55-8 ethyl 4-(p-n-butylphenyl)-4-oxobutanoate 
• 127948-46-3 2-[2-(4-(4-butylphenyl)butyl)phenyl]-4,4-dimethyloxazoline 
• 102684-56-0 4-(4-butylphenyl)butyl bromide 
• 159800-53-0 3-(4-Butyl-phenyl)-1,4,5,6-tetrahydro-pyridazine 
• 117280-22-5 [7-[2-(4-Butyl-phenyl)-ethyl]-5-(2-chloro-phenyl)-1,3-dihydro-thieno[2,3-e][1,4]diazepin-(2Z)-ylidene]-hydrazine 
• 183130-55-4 N-[5-[2-(4-Butyl-phenyl)-ethyl]-3-(2-chloro-benzoyl)-thiophen-2-yl]-2-chloro-acetamide 
• 183130-11-2 2-Amino-N-[5-[2-(4-butyl-phenyl)-ethyl]-3-(2-chloro-benzoyl)-thiophen-2-yl]-acetamide 
• 117280-21-4 7-[2-(4-Butyl-phenyl)-ethyl]-5-(2-chloro-phenyl)-1,3-dihydro-thieno[2,3-e][1,4]diazepine-2-thione 
• 117280-20-3 7-[2-(4-Butyl-phenyl)-ethyl]-5-(2-chloro-phenyl)-1,3-dihydro-thieno[2,3-e][1,4]diazepin-2-one 
• 183129-94-4 {2-Amino-5-[2-(4-butyl-phenyl)-ethyl]-thiophen-3-yl}-(2-chloro-phenyl)-methanone 
• 122854-64-2 4-(4-Butyl-phenyl)-butyraldehyde 
• 102684-57-1 4-(4-butylphenyl)butanol 

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.

Chemical process for the preparation of esters of substituted cyclopropyl caboxylic acids

A process for the preparation of a compound of the general formula (III): wherein R1, R2, R5 and R6 each represent a hydrogen atom or an alkyl group containing from l to 4 carbon atoms, R is an alkyl group and X and Y each represent

LEUKOTRIENE ANTAGONIST

The compounds represented by the following structural formula (I) STR1 wherein m is 1 or 2; n is 1, 2 or 3; R' is hydrogen or methyl; R is a radical selected from the group consisting of: STR2 wherein R. sub.1 is C 8 to C 13 alkyl, C 7 to C 12 alkoxy, C 7 to C 12 thioalkyl, C 10 to C 12 1-alkynyl, 11-dodecynyl, 1-trans-dodecenyl, 5-(4-acetyl-3-hydroxy-2-propylphenoxypentoxy, 2(Z), 5(Z)-undecadienyloxy, phenyl-C 4 to C. sub.10 alkyl with the phenyl optionally mono substituted with bromo, chloro, trifluoromethyl, methoxy, methylthio or trifluoromethylthio, phenylthio-C 3 to C 9 alkyl with the phenyl optionally mono substituted with bromo, chloro, trifluoromethyl, methoxy, methylthio or trifluoromethylthio, phenyl-CH. dbd.CH--(CH 2) 2-8, phenyl-C 3 to C 9 alkoxy, trifluoromethyl-C 7 to C 12 alkyl, cyclohexyl-C 4 to C 10 alkyl or STR3 wherein each q is 0, 1, 2 or 3 but the sum of both q's does not exceed 3, and R 2 is hydrogen, bromo, chloro, methyl, trifluoromethyl, hydroxy, methoxy or nitro; or R 1 is hydrogen and R. sub.2 is C 8 to C 13 alkyl, C 7 to C 12 alkoxy, C 7 to C 12 thioalkyl, C 10 to C. sub.12 1-alkynyl, 11-dodecynyl, 1-trans-dodecenyl, 5-(4-acetyl-3-hydroxy-2-propylphenoxy(pentoxy, 2(Z), 5(Z)-undecadienyloxy, phenyl-C 4 to C. sub.10 alkyl with the phenyl optionally mono substituted with bromo, chloro, trifluoromethyl, methoxy, methylthio or trifluoromethylthio, phenylthio-C 3 to C 9 alkyl with the phenyl optionally mono substituted with bromo, chloro, trifluoromethyl, methoxy, methylthio or trifluoromethylthio, phenyl-CH. dbd.CH--(CH 2) 2-8, phenyl-C 3 to C 9 alkoxy, trifluoromethyl-C 7 to C 12 alkyl, cyclohexyl-C 4 to C 10 alkyl or STR4 wherein each q is 0, 1, 2 or 3 but the sum of both q's does not exceed 3, and p is 0 or 1, with the proviso that R is not a thiophene radical and any of R 1 and R. sub.2 above are not thioalkyl or phenylthioalkyl when p is 1; and pharmaceutically acceptable salts thereof have been found to be leukotriene antagonists and useful in the treatment of diseases in which leukotrienes are a factor, such as asthma.