CAS 898777-15-6

Ethyl 2-iodo-ε-oxobenzenehexanoate

Description:

Ethyl 2-iodo-ε-oxobenzenehexanoate, with the CAS number 898777-15-6, 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 hexanoate chain, indicating it has a six-carbon backbone, and an iodo substituent at the second position of the aromatic ring, which contributes to its reactivity and potential applications in organic synthesis. The presence of the oxo group (a carbonyl group) suggests that it may participate in various chemical reactions, such as nucleophilic additions or substitutions. Ethyl 2-iodo-ε-oxobenzenehexanoate is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its unique structure may make it useful in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. As with many halogenated compounds, it is important to handle it with care due to potential toxicity and environmental concerns.

Formula: C₁₄H₁₇IO₃

InChI: InChI=1/C14H17IO3/c1-2-18-14(17)10-6-5-9-13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,2,5-6,9-10H2,1H3

InChI key: InChIKey=PBAMPYGSSRIGPA-UHFFFAOYSA-N

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

Synonyms:

• Benzenehexanoic acid, 2-iodo-ε-oxo-, ethyl ester
• Ethyl 2-iodo-ε-oxobenzenehexanoate