CAS 898777-36-1
:Ethyl 3-iodo-η-oxobenzeneoctanoate
Description:
Ethyl 3-iodo-η-oxobenzeneoctanoate, identified by its CAS number 898777-36-1, is a chemical compound that features a complex structure combining an ethyl ester with a substituted aromatic ring. This compound typically exhibits characteristics associated with both esters and aromatic compounds, including moderate solubility in organic solvents and potential reactivity due to the presence of the iodine substituent. The iodine atom can enhance the compound's electrophilic properties, making it useful in various synthetic applications, particularly in organic synthesis and medicinal chemistry. The presence of the octanoate chain contributes to its hydrophobic nature, influencing its interactions in biological systems and its potential as a drug candidate. Additionally, the compound may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, which can be utilized for its identification and analysis. Overall, Ethyl 3-iodo-η-oxobenzeneoctanoate represents a versatile structure with potential applications in various fields of chemistry.
Formula:C16H21IO3
InChI:InChI=1S/C16H21IO3/c1-2-20-16(19)11-6-4-3-5-10-15(18)13-8-7-9-14(17)12-13/h7-9,12H,2-6,10-11H2,1H3
InChI key:InChIKey=QAAFROJXIUATIC-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=CC(I)=CC=C1
Synonyms:- Benzeneoctanoic acid, 3-iodo-η-oxo-, ethyl ester
- Ethyl 3-iodo-η-oxobenzeneoctanoate
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