5600-62-4

Basic information

• Product Name: 4-(4-Nitrophenyl)butyric acid
• Synonyms: TIMTEC-BB SBB008603;4-(4-NITROPHENYL)BUTYRIC ACID;4-NITROBENZENEBUTANOIC ACID;4-(P-NITROPHENYL)BUTYRIC ACID;CHEMPACIFIC 41221;BENZENEBUTANOIC ACID, 4-NITRO-;4-(4-Nitrophenyl)butanoic acid;gamma-(p-Nitrophenyl)butyric acid
• CAS NO: 5600-62-4
• Molecular Formula: C₁₀H₁₁NO₄
• Molecular Weight: 209.2
• EINECS: 227-019-9
• Product Categories: C10;Carbonyl Compounds;Carboxylic Acids;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
• Mol File: 5600-62-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 90-93 °C(lit.)
• Boiling Point: 393.8 °C at 760 mmHg
• Flash Point: 172.3 °C
• Appearance: slightly yellow
• Density: 1.293 g/cm³
• Vapor Pressure: 6.59E-07mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.68±0.10(Predicted)
• BRN: 2051992
• CAS DataBase Reference: 4-(4-Nitrophenyl)butyric acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-Nitrophenyl)butyric acid(5600-62-4)
• EPA Substance Registry System: 4-(4-Nitrophenyl)butyric acid(5600-62-4)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: 22-24/25
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 5600-62-4(Hazardous Substances Data)

Usage

General Description

4-(4-Nitrophenyl)butyric acid is a chemical compound with the molecular formula C10H11NO4. It is a nitrophenyl derivative of butyric acid and consists of a butyric acid backbone with a nitrophenyl group attached to the fourth carbon atom. 4-(4-Nitrophenyl)butyric acid is used in the synthesis of various pharmaceuticals, agrochemicals, and organic compounds. It has potential applications in the development of drugs for the treatment of neurological disorders, cancer, and cardiovascular diseases. Additionally, 4-(4-Nitrophenyl)butyric acid has been studied for its potential use as a precursor in the production of fragrances and flavorings. Overall, this chemical compound has versatile applications in the pharmaceutical and chemical industries.

InChI:InChI=1/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)/p-1

Upstream product

• 1821-12-1 4-Phenylbutyric acid 
• 64-19-7 acetic acid 
• 108-24-7 acetic anhydride 
• 15118-60-2 4-(4-aminophenyl)butyric Acid 

Downstream Products

• 61445-60-1 4-(4-nitro-phenyl)-butyric acid amide 
• 15118-60-2 4-(4-aminophenyl)butyric Acid 
• 20637-02-9 methyl 4-(4-nitrophenyl)butanoate 
• 130707-80-1 d,l-2-bromo-4-(4-nitrophenyl)butanoic acid methyl ester 
• 130707-81-2 1,4,7,10-tetraaza-1-N-(1-carbomethoxy-3-(4-nitrophenyl)propyl)cyclododecane 
• 5600-63-5 4-(4-nitrophenyl)butanoyl chloride 
• 202646-05-7 1-{(1R,3R,5S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-4-(4-nitro-phenyl)-butan-1-one 
• 192774-14-4 4-(4-nitrophenyl)butyric acid, N-methoxy-N-methylamide 
• 192770-75-5 N-{2-[2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-4-(4-nitro-phenyl)-butyramide 
• 462996-09-4 4-(4-nitrophenyl)butyric acid 4-fluorobenzyl ester 
• 914955-90-1 S-(+)-2β-{[4-(4'-nitrophenyl)butyryl]oxymethyl}-3α-[bis(4-fluorophenyl)methoxy]tropane 
• 203048-96-8 (1R,3R,5S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[4-(4-nitro-phenyl)-butyl]-8-aza-bicyclo[3.2.1]octane 
• 203048-98-0 4-(4-{(1R,3R,5S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-butyl)-2-iodo-phenylamine 
• 503629-27-4 4-(4-morpholin-4-yl-butyl)-phenylamine 

Relevant articles and documents

Experiments on the Chaperon effect in the nitration of aromatics

A nitro group may be effectively delivered to the ortho position of alkylbenzenes, provided that a suitable chaperon function is located in α- position and a dilute of HNO3 in CH2Cl2 is used. The carbonyl function of an aldehyde or ketone is the best choice, but a carboxyl, alkoxycarbonyl, and amide groups all work well. The ether function showed a less pronounced ortho orientation effect, whereas the hydroxyl group was too prone to oxidation. Side reactions were minimal under the conditions employed. A para chaperon effect was seemingly at work in the CH2Cl2 nitration of benzenepropanenitrile. All the results were compared with the corresponding classical nitration in H2SO4.

1-Aryl-3-(2-chloroethyl) ureas: Synthesis and in vitro assay as potential anticancer agents

1-Aryl-3-(2-chlorethyl) ureas and 1-aryl-3-nitrose-3-(2-chloroethyl) ureas, derived from 4-phenylbutyric acid and alkylanillines, were synthesized and their cytotoxicity was evaluated on human adenocarcinoma cells in vitro. Methyl 4-[p-[3-(2-chloroethyl)ureido]-phenyl]butyrate, 4-methyl [3-(2-chloroethyl)ureido]benzene, and 4-butyl[3-(2-chloroethyl)ureido]benzene were found to be at least as cytotoxic as 4-[p-[bis-(2-chloroethyl)amino]phenyl]butyric acid (chlorambucil), while their N-nitrose derivatives were inactive.