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CAS 1385694-65-4

:

Methyl 1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarboxylate

Description:
Methyl 1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarboxylate, identified by its CAS number 1385694-65-4, is an organic compound characterized by its complex structure, which includes a cyclohexane ring, a ketone functional group, and a methoxy-substituted phenyl group. This compound typically exhibits properties associated with esters, such as being a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is likely to be soluble in organic solvents like ethanol and dichloromethane, while being less soluble in water due to its hydrophobic cyclohexane component. The presence of methoxy groups suggests potential for hydrogen bonding and influences its reactivity and interaction with biological systems. Methyl 1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarboxylate may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological targets. However, specific biological activity and safety profiles would require further investigation through empirical studies.
Formula:C16H20O5
InChI:InChI=1S/C16H20O5/c1-19-13-5-4-11(10-14(13)20-2)16(15(18)21-3)8-6-12(17)7-9-16/h4-5,10H,6-9H2,1-3H3
InChI key:InChIKey=HRWVXFSEWPFWNI-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1(CCC(=O)CC1)C2=CC(OC)=C(OC)C=C2
Synonyms:
  • Methyl 1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarboxylate
  • Cyclohexanecarboxylic acid, 1-(3,4-dimethoxyphenyl)-4-oxo-, methyl ester
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