CAS 61566-34-5

Ibuprofen methyl ester

Description:

Ibuprofen methyl ester, with the CAS number 61566-34-5, is an ester derivative of ibuprofen, a widely used nonsteroidal anti-inflammatory drug (NSAID). This compound retains the anti-inflammatory, analgesic, and antipyretic properties characteristic of ibuprofen, making it relevant in pharmaceutical applications. Structurally, it features a methyl ester functional group, which can influence its solubility and bioavailability compared to its parent compound. Ibuprofen methyl ester is typically a colorless to pale yellow liquid, exhibiting moderate volatility and a relatively low melting point. Its chemical formula reflects the presence of carbon, hydrogen, and oxygen atoms, consistent with its classification as an ester. The compound is generally stable under standard conditions but may undergo hydrolysis in the presence of water or under acidic or basic conditions. As with other NSAIDs, it is important to consider potential side effects and interactions when used therapeutically. Overall, ibuprofen methyl ester serves as a valuable compound in medicinal chemistry, particularly in the development of drug formulations.

Formula: C₁₄H₂₀O₂

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

InChI key: InChIKey=YNZYUHPFNYBBFF-UHFFFAOYSA-N

SMILES: C(C(OC)=O)(C)C1=CC=C(CC(C)C)C=C1

Synonyms:

• 2-(4-Isobutylphenyl)propionic acid methyl ester
• Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester
• Ibuprofen methyl ester
• Ibuprofen methyl ester, racemic
• Methyl 2-(4-isobutylphenyl)propionate
• Methyl 2-(4′-isobutylphenyl)propanoate
• Methyl 2-(p-isobutylphenyl)propionate
• Methyl 2-[4-(2-Methylpropyl)Phenyl]Propanoate
• Methyl α-(4-isobutylphenyl)propionate
• Methyl α-(p-isobutylphenyl)propionate
• Racemic ibuprofen methyl ester
• α-Methyl-4-(2-methylpropyl)benzeneacetic acid methyl ester
• 2-(4-Isobutylphenyl)propanoic acid methyl ester
• α-Methyl-4-isobutylbenzeneacetic acid methyl ester
• Methyl-2-[4-(2-methylpropyl)phenyl]propanoate in methanol
• Ibuprofen methyl
• Methyl 2-[4-(2-methylprop-1-yl)phenyl]propionate, Methyl 2-[4-(2-methylprop-1-yl)phenyl]propanoate
• methyl 2-(4-isopropylphenyl)propionate
• IBUPROFEN IMP F2
• METHYL 2-[4-(2-METHYLPROPYL)PHENYL]PROPIONATE

Methyl 2-(4-isobutylphenyl)propanoate

CAS: 61566-34-5

Formula: C₁₄H₂₀O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 220.3074

Ref: IN-DA00EBS7

Methyl 2-(4-isobutylphenyl)propanoate

CAS: 61566-34-5

Methyl 2-(4-isobutylphenyl)propanoate

Formula: C₁₄H₂₀O₂

Purity: ≥95%

Color and Shape: almost colourless liquid

Molecular weight: 220.31g/mol

Ref: 54-OR0631

Ibuprofen Methyl Ester

CAS: 61566-34-5

Formula: C₁₄H₂₀O₂

Color and Shape: Neat

Molecular weight: 220.31

Ref: 86-MM0002.53

Methyl 2-(4-Isobutylphenyl)propanoate

CAS: 61566-34-5

Formula: C₁₄H₂₀O₂

Purity: >98.0%(HPLC)(qNMR)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 220.31

Ref: 3B-I1194

Ibuprofen Methyl Ester

CAS: 61566-34-5

Formula: C₁₄H₂₀O₂

Molecular weight: 220.31

Ref: 4Z-I-0441

(±)-Ibuprofen Methyl Ester

Controlled Product

CAS: 61566-34-5

Applications (±)-Ibuprofen Methyl Ester is a phototoxic, photoproduct of Ibuprofen (I140000), a selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency. Ibuprofen is also used as an anti-inflammatory drug.
References Miranda, M.A., et. al.: Toxicol. In Vitro, 5, 451 (1991); Busson, M., et al.: J. Int. Med Res., 14, 53 (1986); Meade, E.A., et al.: J. Biol. Chem., 268, 6610 (1993); Davies, N.M., et al.: Clin. Pharmacokinet., 34, 101 (1998)

Formula: C₁₄H₂₀O₂

Color and Shape: Colourless

Molecular weight: 220.31

Ref: TR-I140085

Methyl 2-(4-isobutylphenyl)propanoate

CAS: 61566-34-5

Formula: C₁₄H₂₀O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 220.312

Ref: 10-F099821

Ibuprofen Methyl Ester

CAS: 61566-34-5

Formula: C₁₄H₂₀O₂

Molecular weight: 220.31

Ref: ST-EA-CP-I2026