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CAS 1385694-79-0

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Methyl 1-(3-bromophenyl)-4-oxocyclohexanecarboxylate

Description:
Methyl 1-(3-bromophenyl)-4-oxocyclohexanecarboxylate is an organic compound characterized by its complex structure, which includes a cyclohexane ring, a ketone functional group, and a bromophenyl substituent. This compound features a methyl ester functional group, which contributes to its reactivity and solubility properties. The presence of the bromine atom on the phenyl ring enhances its electrophilic character, making it potentially useful in various chemical reactions, including nucleophilic substitutions. The cyclohexanecarboxylate moiety provides a degree of rigidity and can influence the compound's physical properties, such as boiling and melting points. Methyl esters like this one are often utilized in organic synthesis and medicinal chemistry due to their ability to undergo hydrolysis and other transformations. Additionally, the compound's specific stereochemistry and substituent positions can affect its biological activity and interactions with other molecules, making it a subject of interest in pharmaceutical research. Overall, this compound exemplifies the diversity of organic molecules and their potential applications in various fields.
Formula:C14H15BrO3
InChI:InChI=1S/C14H15BrO3/c1-18-13(17)14(7-5-12(16)6-8-14)10-3-2-4-11(15)9-10/h2-4,9H,5-8H2,1H3
InChI key:InChIKey=YPBHRRTXSHSEHE-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1(CCC(=O)CC1)C2=CC(Br)=CC=C2
Synonyms:
  • Methyl 1-(3-bromophenyl)-4-oxocyclohexanecarboxylate
  • Cyclohexanecarboxylic acid, 1-(3-bromophenyl)-4-oxo-, methyl ester
  • methyl 1-(3-bromophenyl)-4-oxocyclohexane-1-carboxylate
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