CAS 74367-97-8

Ethyl 3-methyl-3-(4-methylphenyl)-2-oxiranecarboxylate

Description:

Ethyl 3-methyl-3-(4-methylphenyl)-2-oxiranecarboxylate, with the CAS number 74367-97-8, is an organic compound characterized by its epoxide functional group, which is a three-membered cyclic ether. This compound features an ethyl ester group and a substituted aromatic ring, contributing to its unique chemical properties. The presence of the oxirane ring indicates that it can participate in various chemical reactions, such as ring-opening reactions, making it a versatile intermediate in organic synthesis. Its structure suggests potential applications in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. The compound is likely to exhibit moderate to low solubility in water, typical of many organic compounds with larger hydrophobic groups. Additionally, due to the presence of both ester and aromatic functionalities, it may display interesting reactivity patterns, including electrophilic aromatic substitution and nucleophilic attack at the epoxide. Safety data and handling precautions should be considered, as with all chemical substances, to ensure safe laboratory practices.

Formula: C₁₃H₁₆O₃

InChI: InChI=1S/C13H16O3/c1-4-15-12(14)11-13(3,16-11)10-7-5-9(2)6-8-10/h5-8,11H,4H2,1-3H3

InChI key: InChIKey=RJQNJKOCFCXTHZ-UHFFFAOYSA-N

SMILES: CC1(C(C(OCC)=O)O1)C2=CC=C(C)C=C2

Synonyms:

• Oxiranecarboxylic acid, 3-methyl-3-(4-methylphenyl)-, ethyl ester
• 2-Oxiranecarboxylic acid, 3-methyl-3-(4-methylphenyl)-, ethyl ester
• Ethyl 3-methyl-3-(4-methylphenyl)-2-oxiranecarboxylate