CAS 898777-18-9

Ethyl 2-iodo-ζ-oxobenzeneheptanoate

Description:

Ethyl 2-iodo-ζ-oxobenzeneheptanoate, identified by its CAS number 898777-18-9, is a chemical compound that belongs to the class of esters. It features an ethyl ester functional group, which is typically characterized by the presence of a carbonyl group (C=O) adjacent to an ether linkage (C-O-C). The compound contains an iodo substituent, which can influence its reactivity and properties, particularly in nucleophilic substitution reactions. The presence of the benzene ring contributes to its aromatic characteristics, potentially affecting its stability and solubility in various solvents. The heptanoate chain indicates that it has a seven-carbon aliphatic chain, which can impart hydrophobic properties. Overall, this compound may exhibit interesting chemical behavior due to the combination of its ester, aromatic, and halogen functionalities, making it a candidate for various synthetic applications in organic chemistry, including potential use in pharmaceuticals or agrochemicals. However, specific physical properties such as boiling point, melting point, and solubility would need to be determined through experimental methods or literature sources.

Formula: C₁₅H₁₉IO₃

InChI: InChI=1S/C15H19IO3/c1-2-19-15(18)11-5-3-4-10-14(17)12-8-6-7-9-13(12)16/h6-9H,2-5,10-11H2,1H3

InChI key: InChIKey=NFXIKWKINJZTCJ-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 2-iodo-ζ-oxobenzeneheptanoate
• Benzeneheptanoic acid, 2-iodo-ζ-oxo-, ethyl ester