CAS 898792-73-9
:Ethyl 3-bromo-η-oxobenzeneoctanoate
Description:
Ethyl 3-bromo-η-oxobenzeneoctanoate, identified by its CAS number 898792-73-9, is an organic compound that features a complex structure combining an ethyl ester with a brominated aromatic ring and a long-chain fatty acid component. The presence of the bromine atom introduces notable reactivity, making it a potential candidate for various chemical transformations, including nucleophilic substitutions. The η-oxobenzene moiety suggests the presence of a ketone functional group adjacent to the aromatic system, which can influence the compound's reactivity and stability. This compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic octanoate chain, while its polar functional groups may impart some degree of solubility in polar solvents. Ethyl 3-bromo-η-oxobenzeneoctanoate may find applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, owing to its unique structural features that can facilitate further chemical modifications. As with many brominated compounds, considerations regarding environmental impact and safety are essential during handling and application.
Formula:C16H21BrO3
InChI:InChI=1S/C16H21BrO3/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=JHWUMLQOYSFOTC-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=CC(Br)=CC=C1
Synonyms:- Ethyl 3-bromo-η-oxobenzeneoctanoate
- Benzeneoctanoic acid, 3-bromo-η-oxo-, ethyl ester
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