CAS 81147-94-6

Methyl 4-(2-oxiranylmethoxy)benzenepropanoate

Description:

Methyl 4-(2-oxiranylmethoxy)benzenepropanoate, identified by its CAS number 81147-94-6, is an organic compound characterized by its ester functional group and the presence of an epoxide moiety. This compound features a methyl ester derived from a propanoic acid, with a benzene ring substituted at the para position by a methoxy group linked to an epoxide. The epoxide group contributes to its reactivity, making it a potential intermediate in organic synthesis, particularly in the formation of more complex molecules. The compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic aromatic structure, while the ester and epoxide functionalities may impart some polar characteristics. Its applications may extend to fields such as pharmaceuticals, agrochemicals, or polymer chemistry, where it can serve as a building block or reactive agent. Safety data should be consulted for handling, as compounds with epoxide groups can be hazardous due to their potential to react with nucleophiles and form adducts.

Formula: C₁₃H₁₆O₄

InChI: InChI=1S/C13H16O4/c1-15-13(14)7-4-10-2-5-11(6-3-10)16-8-12-9-17-12/h2-3,5-6,12H,4,7-9H2,1H3

InChI key: InChIKey=BDCUIFGTTIEBLT-UHFFFAOYSA-N

SMILES: C(OC1=CC=C(CCC(OC)=O)C=C1)C2CO2

Synonyms:

• 3-(4-(2,3-Epoxypropoxy)phenyl)propionic acid methyl ester
• Benzenepropanoic acid, 4-(oxiranylmethoxy)-, methyl ester
• Benzenepropanoicacid, 4-(oxiranylmethoxy)-, methyl ester (9CI)
• Methyl 4-(2-oxiranylmethoxy)benzenepropanoate
• Benzenepropanoic acid, 4-(2-oxiranylmethoxy)-, methyl ester

Esmolol Impurity 1

CAS: 81147-94-6

Formula: C₁₃H₁₆O₄

Color and Shape: Colourless Liquid

Molecular weight: 236.27

Ref: 4Z-E-479

Esmolol Impurity 7

CAS: 81147-94-6

Formula: C₁₃H₁₆O₄

Molecular weight: 236.30

Ref: ST-EA-CP-E39022

3-(4-(2,3-Epoxypropoxy)phenyl)propionic Acid Methyl Ester

CAS: 81147-94-6

Applications 3-(4-(2,3-Epoxypropoxy)phenyl)propionic Acid Methyl Ester is an intermediate in the synthesis of N-Ethyl Esmolol (E918045), which is an impurity of esmolol (E668000), which is a cardioselective β-adrenergic blocker. Antiarrhythmic.
References Gorczynski, R.J., et al.: J. Cardiovasc. Pharmacol., 5, 668 (1983), Yacobi, A., et al.: J. Pharm. Sci., 72, 711 (1983), Benfield, P., et al.: Drugs, 33, 392 (1987)

Formula: C₁₃H₁₆O₄

Color and Shape: Neat

Molecular weight: 236.26

Ref: TR-E811475