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CAS 898751-30-9

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Ethyl 2-bromo-ζ-oxobenzeneheptanoate

Description:
Ethyl 2-bromo-ζ-oxobenzeneheptanoate, identified by its CAS number 898751-30-9, is an organic compound that features a complex structure combining both an ester and a bromine substituent. This compound typically exhibits characteristics common to esters, such as being a colorless to pale yellow liquid with a fruity odor. The presence of the bromine atom introduces notable reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The oxobenzene moiety suggests the presence of a carbonyl group adjacent to a benzene ring, which can influence the compound's reactivity and stability. Ethyl 2-bromo-ζ-oxobenzeneheptanoate may also demonstrate moderate solubility in organic solvents, while its solubility in water is likely limited due to the hydrophobic nature of the aromatic and aliphatic components. This compound could be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, where brominated compounds often serve as intermediates or active ingredients.
Formula:C15H19BrO3
InChI:InChI=1S/C15H19BrO3/c1-2-19-15(18)11-5-3-4-10-14(17)12-8-6-7-9-13(12)16/h6-9H,2-5,10-11H2,1H3
InChI key:InChIKey=RWSHGWYKLAWVBM-UHFFFAOYSA-N
SMILES:C(CCCCCC(OCC)=O)(=O)C1=C(Br)C=CC=C1
Synonyms:
  • Ethyl 2-bromo-ζ-oxobenzeneheptanoate
  • Benzeneheptanoic acid, 2-bromo-ζ-oxo-, ethyl ester
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