CAS 898790-74-4

2-Iodo-ζ-oxobenzeneheptanoic acid

Description:

2-Iodo-ζ-oxobenzeneheptanoic acid, identified by its CAS number 898790-74-4, is a chemical compound that features both an iodo substituent and a carboxylic acid functional group, which contributes to its reactivity and potential applications in organic synthesis. The presence of the iodo group enhances its electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions. The oxobenzene structure indicates the presence of a carbonyl group adjacent to a benzene ring, which can influence the compound's electronic properties and stability. This compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic benzene ring and polar carboxylic acid group. Its unique structure may allow for specific interactions in biological systems, making it of interest in medicinal chemistry. Overall, 2-Iodo-ζ-oxobenzeneheptanoic acid represents a versatile building block in synthetic organic chemistry, with potential applications in pharmaceuticals and agrochemicals.

Formula: C₁₃H₁₅IO₃

InChI: InChI=1S/C13H15IO3/c14-11-7-5-4-6-10(11)12(15)8-2-1-3-9-13(16)17/h4-7H,1-3,8-9H2,(H,16,17)

InChI key: InChIKey=AUBOBJJZBBICII-UHFFFAOYSA-N

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

Synonyms:

• Benzeneheptanoic acid, 2-iodo-ζ-oxo-
• 2-Iodo-ζ-oxobenzeneheptanoic acid