4547-57-3

Basic information

• Product Name: 4-N-BUTOXYPHENYLACETIC ACID
• Synonyms: (p-butoxyphenyl)-aceticaci;4-butoxybenzeneaceticacid;Acetic acid, (p-butoxyphenyl)-;Benzeneacetic acid, 4-butoxy-;(4-BUTOXYPHENYL)ACETIC ACID;4-N-BUTOXYPHENYLACETIC ACID;(4-N-BUTYLOXYPHENYL)ACETIC ACID;P-BUTOXYPHENYLACETIC ACID
• CAS NO: 4547-57-3
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.25
• EINECS: 224-904-1
• Product Categories: Aromatic Phenylacetic Acids and Derivatives
• Mol File: 4547-57-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 80-85 °C
• Boiling Point: 345°C at 760 mmHg
• Flash Point: 130.1°C
• Appearance: /
• Density: 1.093±0.06 g/cm3(Predicted)
• Vapor Pressure: 2.41E-05mmHg at 25°C
• Solubility: soluble in Methanol
• PKA: 4.45±0.10(Predicted)
• BRN: 1105534
• CAS DataBase Reference: 4-N-BUTOXYPHENYLACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-BUTOXYPHENYLACETIC ACID(4547-57-3)
• EPA Substance Registry System: 4-N-BUTOXYPHENYLACETIC ACID(4547-57-3)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 2
• RTECS: AF6945000
• Hazardous Substances Data: 4547-57-3(Hazardous Substances Data)

Usage

Chemical Properties

White to off-white powder

Uses

4-Butoxyphenylacetic acid may be used in chemical synthesis studies.

Purification Methods

Recrystallise it from pet ether (b 40-60o). [McElvain & Carney J Am Chem Soc 68 2592 1946, Beilstein 10 IV 545.]

InChI:InChI=1/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)/p-1

Upstream product

• 109-65-9 1-bromo-butane 
• 156-38-7 4-hydroxyphenylacetate 
• 4547-58-4 ethyl 2-(4-(n-butoxy)phenyl)acetate 
• 29056-06-2 (4-butoxy-phenyl)-acetic acid methyl ester 
• 10519-06-9 1-butoxy-4-methylbenzene 
• 5736-88-9 p-butoxybenzaldehyde 
• 66786-80-9 1-Butoxy-4-((Z)-2-methanesulfinyl-2-methylsulfanyl-vinyl)-benzene 

Downstream Products

• 32689-05-7 4-[(4-butoxy-phenyl)-acetyl]-morpholine 
• 847749-15-9 (Pd(C₆H₃(O(CH₂)9CH₃)CHNC₆H₄O(CH₂)9CH₃)OCOCH₂C₆H₄O(CH₂)3CH₃)2 
• 847749-09-1 (Pd(C₆H₃(O(CH₂)5CH₃)CHNC₆H₄O(CH₂)5CH₃)OCOCH₂C₆H₄O(CH₂)3CH₃)2 
• 88210-73-5 norethisterone 4-(butoxy)phenylacetate 
• 89790-00-1 N,N-dimethyl-p-butoxyphenylacetamide 
• 89789-99-1 2-(4-Butoxy-phenyl)-N-methyl-acetamide 
• 344268-06-0 4-(4-Butoxy-phenyl)-3-(4-hexyl-phenyl)-3-hydroxy-butyric acid ethyl ester 
• 83787-76-2 7-Butoxy-3-(4-hexyl-phenyl)-3,4-dihydro-2H-naphthalen-1-one 
• 344253-27-6 4-(4-Butoxy-phenyl)-3-(4-hexyl-phenyl)-butyric acid ethyl ester 
• 344249-14-5 4-(4-Butoxy-phenyl)-3-(4-hexyl-phenyl)-butyric acid 
• 345584-83-0 4-(4-Butoxy-phenyl)-3-hydroxy-3-phenyl-butyric acid ethyl ester 
• 83787-78-4 7-Butoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one 

Relevant articles and documents

PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE

A production process for substituted phenylacetic acids or ester analogues thereof is disclosed. In this process toluene or toluene substituted with various substituents, an alcohol, an oxidant and carbon monoxide are used as raw materials to obtain compounds comprising structure of phenylacetic acid ester or analogues thereof by catalysis of the complex catalyst formed from transition metal and ligand, and such compounds are hydrolyzed to obtain various substituted phenylacetic acid based compounds. This type of compounds and their derivatives serve as important fine chemicals used widely in the industries of pharmaceuticals, pesticides, perfume and the like.

PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS

Compounds of Formula I or pharmaceutically acceptable salts or solvates thereof, wherein A, B, D, Ar1, Ar2, R2, R3, R4, a, m and n are defined in the specification, methods for the use thereof, processes for making and pharmaceutical compositions containing the same.

Design of Inhibitors from the Three-Dimensional Structure of Alcohol Dehydrogenase. Chemical Synthesis and Enzymatic Properties

Inhibitors of liver alcohol dehydrogenase were designed from the three-dimensional structure of the enzyme.The ligand to the catalytic zinc ion is an amide group or, better, a formamide group.With the latter function, a hydrogen bond between the NH group and the hydroxyl group of Ser-48 may be formed.The hydrophobic substrate binding site brings structural restraints. α-ω bifunctional molecules show good inhibitory properties possibly due to the interactions with polar residues at the entrance of the substrate binding site.