CAS 1261444-01-2

Ethyl 3-iodo-4-methylbenzeneacetate

Description:

Ethyl 3-iodo-4-methylbenzeneacetate is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a benzene ring substituted with both an iodine atom at the 3-position and a methyl group at the 4-position, contributing to its unique chemical properties. The presence of the ethyl acetate moiety enhances its solubility in organic solvents, making it useful in various chemical reactions and applications. Its molecular structure suggests potential reactivity in nucleophilic substitution reactions due to the electrophilic nature of the iodine atom. Additionally, the compound may exhibit interesting biological activities, which can be explored in medicinal chemistry. As with many halogenated compounds, it is essential to handle it with care due to potential toxicity and environmental concerns. Overall, Ethyl 3-iodo-4-methylbenzeneacetate serves as a valuable intermediate in organic synthesis and may have applications in pharmaceuticals and agrochemicals.

Formula: C₁₁H₁₃IO₂

InChI: InChI=1S/C11H13IO2/c1-3-14-11(13)7-9-5-4-8(2)10(12)6-9/h4-6H,3,7H2,1-2H3

InChI key: InChIKey=ZSIVWRHLEIRKGF-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)C1=CC(I)=C(C)C=C1

Synonyms:

• Benzeneacetic acid, 3-iodo-4-methyl-, ethyl ester
• Ethyl 3-iodo-4-methylbenzeneacetate