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CAS 898767-46-9

:

3-Bromo-5-methyl-δ-oxobenzenepentanoic acid

Description:
3-Bromo-5-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 898767-46-9, is a chemical compound that features a bromine atom and a methyl group attached to a benzene ring, along with a pentanoic acid chain. This compound is characterized by its unique structure, which includes a δ-oxobenzene moiety, indicating the presence of a ketone functional group adjacent to the aromatic system. The bromine substitution can influence the compound's reactivity and physical properties, such as solubility and boiling point. The presence of the pentanoic acid chain suggests potential applications in organic synthesis and medicinal chemistry, as carboxylic acids are often involved in various chemical reactions, including esterification and amidation. Additionally, the compound may exhibit biological activity due to its structural features, making it of interest for further research in pharmacology or agrochemicals. Overall, 3-Bromo-5-methyl-δ-oxobenzenepentanoic acid represents a versatile building block in organic chemistry with potential applications in various fields.
Formula:C12H13BrO3
InChI:InChI=1S/C12H13BrO3/c1-8-5-9(7-10(13)6-8)11(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)
InChI key:InChIKey=PQQBTQSZXMPEQW-UHFFFAOYSA-N
SMILES:C(CCCC(O)=O)(=O)C1=CC(Br)=CC(C)=C1
Synonyms:
  • Benzenepentanoic acid, 3-bromo-5-methyl-δ-oxo-
  • 3-Bromo-5-methyl-δ-oxobenzenepentanoic acid
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