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CAS 898751-34-3

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Ethyl 2-bromo-η-oxobenzeneoctanoate

Description:
Ethyl 2-bromo-η-oxobenzeneoctanoate, identified by its CAS number 898751-34-3, is a chemical compound that features a complex structure combining an ethyl ester with a brominated aromatic moiety. This compound typically exhibits characteristics common to esters, such as being a colorless to pale yellow liquid with a pleasant odor. The presence of the bromine atom introduces notable reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The oxobenzene component suggests the presence of a carbonyl group adjacent to the aromatic ring, which can influence its reactivity and stability. Additionally, the octanoate chain contributes to its hydrophobic properties, affecting its solubility in different solvents. Ethyl 2-bromo-η-oxobenzeneoctanoate may find applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, due to its unique structural features that allow for further functionalization. As with many brominated compounds, safety precautions should be observed due to potential toxicity and environmental impact.
Formula:C16H21BrO3
InChI:InChI=1S/C16H21BrO3/c1-2-20-16(19)12-6-4-3-5-11-15(18)13-9-7-8-10-14(13)17/h7-10H,2-6,11-12H2,1H3
InChI key:InChIKey=WJTDTUAJIIESJQ-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=C(Br)C=CC=C1
Synonyms:
  • Benzeneoctanoic acid, 2-bromo-η-oxo-, ethyl ester
  • Ethyl 2-bromo-η-oxobenzeneoctanoate
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