CAS 898777-48-5
:Ethyl 4-iodo-η-oxobenzeneoctanoate
Description:
Ethyl 4-iodo-η-oxobenzeneoctanoate, identified by its CAS number 898777-48-5, is an organic compound characterized by its ester functional group and the presence of an iodine atom. This compound features a benzene ring substituted with an iodine atom at the para position, which can influence its reactivity and physical properties. The ethyl ester group contributes to its solubility in organic solvents and may affect its boiling and melting points. The octanoate chain provides hydrophobic characteristics, making the compound less soluble in water. The presence of the ketone functionality (indicated by "η-oxo") suggests potential reactivity in nucleophilic addition reactions. Overall, this compound may exhibit interesting biological activities and could be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals. Its specific applications and reactivity would depend on the functional groups and the overall molecular structure, which can influence interactions with biological systems or other chemical entities.
Formula:C16H21IO3
InChI:InChI=1S/C16H21IO3/c1-2-20-16(19)8-6-4-3-5-7-15(18)13-9-11-14(17)12-10-13/h9-12H,2-8H2,1H3
InChI key:InChIKey=GRUYCNBQSWFYHT-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=CC=C(I)C=C1
Synonyms:- Benzeneoctanoic acid, 4-iodo-η-oxo-, ethyl ester
- Ethyl 4-iodo-η-oxobenzeneoctanoate
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