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CAS 1385694-72-3

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Methyl 1-(2-bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate

Description:
Methyl 1-(2-bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate is a chemical compound characterized by its complex structure, which includes a cyclohexane ring, a carboxylate ester functional group, and halogenated aromatic substituents. The presence of the bromo and chloro groups on the phenyl ring contributes to its reactivity and potential applications in organic synthesis. This compound typically exhibits moderate to high lipophilicity due to its hydrophobic cyclohexane and aromatic components, which may influence its solubility in organic solvents. The ketone functionality (4-oxo) suggests potential reactivity in nucleophilic addition reactions. Additionally, the methyl ester group can undergo hydrolysis, making it relevant in various chemical transformations. Its unique structure may also impart specific biological activities, making it of interest in medicinal chemistry. As with many halogenated compounds, considerations regarding environmental impact and toxicity are essential in its handling and application. Overall, this compound represents a versatile building block in synthetic organic chemistry.
Formula:C14H14BrClO3
InChI:InChI=1S/C14H14BrClO3/c1-19-13(18)14(6-4-10(17)5-7-14)11-8-9(16)2-3-12(11)15/h2-3,8H,4-7H2,1H3
InChI key:InChIKey=FPNIXRNMPVEHLI-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1(CCC(=O)CC1)C2=C(Br)C=CC(Cl)=C2
Synonyms:
  • Cyclohexanecarboxylic acid, 1-(2-bromo-5-chlorophenyl)-4-oxo-, methyl ester
  • Methyl 1-(2-bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate
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