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CAS 55579-77-6

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5-(2-Methoxyphenyl)-1,3-cyclohexanedione

Description:
5-(2-Methoxyphenyl)-1,3-cyclohexanedione, identified by its CAS number 55579-77-6, is an organic compound characterized by its cyclohexanedione core structure substituted with a methoxyphenyl group. This compound typically exhibits a solid state at room temperature and is soluble in organic solvents, reflecting its hydrophobic nature due to the presence of the aromatic methoxy group. The presence of the diketone functional groups contributes to its reactivity, allowing it to participate in various chemical reactions, such as condensation and Michael addition. Its molecular structure suggests potential applications in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Additionally, the methoxy group can influence the compound's electronic properties and steric hindrance, which may affect its biological activity and interaction with other molecules. As with many organic compounds, safety and handling precautions should be observed, as it may pose health risks if ingested or inhaled.
Formula:C13H14O3
InChI:InChI=1S/C13H14O3/c1-16-13-5-3-2-4-12(13)9-6-10(14)8-11(15)7-9/h2-5,9H,6-8H2,1H3
InChI key:InChIKey=KDFGJXOGEXWKQI-UHFFFAOYSA-N
SMILES:O(C)C1=C(C2CC(=O)CC(=O)C2)C=CC=C1
Synonyms:
  • 1,3-Cyclohexanedione, 5-(2-Methoxyphenyl)-
  • 1,3-Cyclohexanedione, 5-(o-methoxyphenyl)-
  • 5-(2-Methoxyphenyl)-1,3-cyclohexanedione
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