61566-34-5

Basic information

• Product Name: METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE
• Synonyms: METHYL-2-[4-(2-METHYLPROPYL)PHENYL]PROPANOATE;METHYL 2-[4-(2-METHYLPROPYL)PHENYL]PROPIONATE;METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE;IBUPROFEN METHYL ESTER;IBUPROFEN IMP F2;methyl 2-(4-isopropylphenyl)propionate;Methyl 2-(4-isobutylphenyl)propionate;2-(4-Isobutylphenyl)propanoic acid methyl ester
• CAS NO: 61566-34-5
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31
• EINECS: 262-853-7
• Mol File: 61566-34-5.mol
• Article Data: 84

Chemical Properties

• Boiling Point: 100 °C
• Flash Point: 101.5 °C
• Appearance: /
• Density: 0.976 g/cm³
• Vapor Pressure: 0.00254mmHg at 25°C
• Refractive Index: 1.493
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE(61566-34-5)
• EPA Substance Registry System: METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE(61566-34-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37/39-36/37
• Hazardous Substances Data: 61566-34-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE is used as an anti-inflammatory agent for its ability to inhibit the cyclooxygenase enzymes, which play a crucial role in the production of prostaglandins, key mediators of inflammation and pain. Its application in this industry is primarily due to its potential to alleviate inflammation and associated discomfort.
Used in Research Applications:
In the field of research, METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE serves as an important tool for studying the mechanisms of inflammation and the role of cyclooxygenase enzymes in various biological processes. Its phototoxic properties also make it a valuable compound for investigating the effects of light exposure on biological systems and the development of photoproducts.
Used in Drug Development:
METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE is utilized in the development of new drugs targeting inflammation and pain management. Its potent inhibition of both PGH synthase-1 and PGH synthase-2 makes it a promising candidate for the creation of novel therapeutic agents with improved efficacy and reduced side effects compared to existing medications.

Synthesis Reference(s)

The Journal of Organic Chemistry, 53, p. 4858, 1988 DOI: 10.1021/jo00255a037Synthesis, p. 1044, 1986 DOI: 10.1055/s-1986-31868

InChI:InChI=1/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3

Upstream product

• 67-56-1 methanol 
• 63379-09-9 1-Isobutyl-4-((Z)-2-methanesulfinyl-1-methyl-2-methylsulfanyl-vinyl)-benzene 
• 15687-27-1 ibuprofen 
• 124-41-4 sodium methylate 
• 62741-02-0 Sodium; 1-hydroxy-2-(4-isobutyl-phenyl)-propane-1-sulfonate 
• 83022-32-6 (RS)-2-hydroxy-1,1-dimethoxy-1-(4'-isobutylphenyl)propane 
• 84508-64-5 2-Chloro-1,1-dimethoxy-1-(4-isobutylphenyl)propane 
• 81111-97-9 Benzenesulfonic acid 2-(4-isobutyl-phenyl)-2,2-dimethoxy-1-methyl-ethyl ester 
• 201230-82-2 carbon monoxide 
• 63444-56-4 p-isobutylstyrene 
• 59771-24-3 4-isobutylpropiophenone 
• 61566-33-4 p-isobutylphenylacetic acid methyl ester 
• 74-88-4 methyl iodide 
• 66202-89-9 p-isobutylpropiophenone dimethyl ketal 

Downstream Products

• 64445-12-1 2-(4-Isobutyl-phenyl)-propionic acid 1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-piperidin-4-yl ester 
• 67-56-1 methanol 
• 15687-27-1 ibuprofen 
• 36039-36-8 2-(4-isobutylphenyl)propan-1-ol 
• 51146-56-6 (S)-ibuprofen 
• 51146-57-7 (R)-ibuprofene 
• 81576-55-8 (S)-(+)-methyl 2-(4-isobutylphenyl)propionate 
• 81576-57-0 (R)-ibuprofen methyl ester 
• 180293-53-2 methyl 2-fluoro-2-[4-(2-methylpropyl)phenyl]propionate 
• 127222-69-9 ibuprofen hydrazide 
• 38861-78-8 1-(4-isobutyl-phenyl)-ethanone 
• 1009647-55-5 methyl 2-[4-(2-methylpropanoyl)phenyl]propanoate 
• 1234562-70-9 methyl 2-(2-iodo-4-isobutylphenyl)propanoate 
• 127222-70-2 5-(1-(4-isobutylphenyl)ethyl)-1,3,4-oxadiazole-2(3H)-thione 

Relevant articles and documents

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