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CAS 898777-00-9

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Ethyl 4-bromo-2-methyl-η-oxobenzeneoctanoate

Description:
Ethyl 4-bromo-2-methyl-η-oxobenzeneoctanoate, identified by its CAS number 898777-00-9, is an organic compound that features a complex structure combining an ethyl ester with a brominated aromatic ring. 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 methyl group on the aromatic ring can influence the compound's electronic properties and steric hindrance, affecting its reactivity and interactions with other molecules. Additionally, the octanoate moiety contributes to its hydrophobic nature, which may impact its solubility in different solvents. Ethyl 4-bromo-2-methyl-η-oxobenzeneoctanoate may find applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of more complex chemical entities. As with all chemical substances, proper handling and safety precautions should be observed due to potential hazards associated with brominated compounds.
Formula:C17H23BrO3
InChI:InChI=1S/C17H23BrO3/c1-3-21-17(20)9-7-5-4-6-8-16(19)15-11-10-14(18)12-13(15)2/h10-12H,3-9H2,1-2H3
InChI key:InChIKey=BYJIZWBIRHYFPJ-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=C(C)C=C(Br)C=C1
Synonyms:
  • Ethyl 4-bromo-2-methyl-η-oxobenzeneoctanoate
  • Benzeneoctanoic acid, 4-bromo-2-methyl-η-oxo-, ethyl ester
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