Cas no 62615-63-8 (4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one)

4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one is a synthetic chromenone derivative characterized by its trimethoxy and methyl substituents on the aromatic ring. This compound exhibits notable stability and structural specificity, making it valuable in organic synthesis and pharmaceutical research. Its methoxy groups enhance electron density, influencing reactivity in substitution and coupling reactions. The methyl group at the 5-position further modifies steric and electronic properties, contributing to selective binding interactions. This chromenone derivative serves as a key intermediate in the development of bioactive molecules, particularly in studies involving anticoagulant, anti-inflammatory, or anticancer agents. Its well-defined structure ensures reproducibility in research applications.
4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one structure
62615-63-8 structure
Product Name:4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one
CAS No:62615-63-8
MF:C13H14O5
MW:250.247264385223
CID:836842
PubChem ID:54025699
Update Time:2025-05-21

4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one Chemical and Physical Properties

Names and Identifiers

    • 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one
    • 4,6,7-TRIMETHOXY-5-METHYLCOUMARIN
    • 2,3-Dihydro-kokusaginin
    • 4,6,7-Trimethoxy-2,3-dihydro-furo&lt
    • 4,6,7-trimethoxy-2,3-dihydro-furo[2,3-b]quinoline
    • 4,6,7-Trimethoxy-2,3-dihydro-furo< 2.3-b> chinolin
    • 4,6,7-Trimethoxy-2-naphthoesaeure-methylester
    • 4,6,7-Trimethoxy-5-methyl-2H-1-benzopyran-2-one
    • 4,6,7-trimethoxy-5-methyl-chromen-2-one
    • 4,6,7-Trimethoxy-5-methylcumarin
    • CTK2E0727
    • Furo[2,3-b]quinoline, 2,3-dihydro-4,6,7-trimethoxy-
    • [ "" ]
    • 4,6,7-trimethoxy-5-methylchromen-2-one
    • 62615-63-8
    • AKOS022184652
    • FS-8901
    • Inchi: 1S/C13H14O5/c1-7-12-8(15-2)6-11(14)18-9(12)5-10(16-3)13(7)17-4/h5-6H,1-4H3
    • InChI Key: LCAADQKZOBZHRD-UHFFFAOYSA-N
    • SMILES: O1C(C=C(C2=C1C=C(C(=C2C)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 250.08412
  • Monoisotopic Mass: 250.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 351
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 54?2

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 430.0±45.0 °C at 760 mmHg
  • Flash Point: 193.7±28.8 °C
  • PSA: 53.99
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one Security Information

4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one Pricemore >>

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Additional information on 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one

Exploring the Versatile Applications and Properties of 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one (CAS No. 62615-63-8)

The compound 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one (CAS 62615-63-8) represents an intriguing member of the coumarin derivatives family, which has garnered significant attention in pharmaceutical and material science research. This methoxy-substituted coumarin exhibits unique structural features that contribute to its diverse biological activities and potential industrial applications. With growing interest in natural product derivatives and bioactive compounds, researchers are increasingly exploring the capabilities of this specialized chemical entity.

Structurally, 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one features a characteristic benzopyrone core with three methoxy groups at positions 4, 6, and 7, along with a methyl substituent at position 5. This specific substitution pattern significantly influences its physicochemical properties, including solubility, melting point, and spectral characteristics. The compound typically appears as a crystalline solid with moderate solubility in organic solvents, making it suitable for various synthetic applications. Its molecular formula C13H14O5 and molecular weight 250.25 g/mol position it as an intermediate-weight organic compound with interesting pharmacological potential.

Recent studies have highlighted the biological activities of 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one, particularly in the context of drug discovery. The compound has shown promising results in preliminary investigations of its antioxidant properties and enzyme inhibition capabilities. Researchers are particularly interested in its potential as a lead compound for developing novel therapeutic agents, given the established pharmacological profile of coumarin derivatives in general. The presence of multiple methoxy groups may enhance its bioavailability and metabolic stability compared to simpler coumarin analogs.

The synthesis of 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one typically involves multi-step organic reactions starting from readily available phenolic precursors. Modern synthetic approaches emphasize green chemistry principles, aiming to improve yield and reduce environmental impact. Recent advancements in microwave-assisted synthesis and catalytic methods have made the production of such specialized coumarin derivatives more efficient and sustainable. These developments are particularly relevant given the current focus on green chemistry and sustainable manufacturing in the chemical industry.

In material science applications, 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one has attracted attention for its potential in organic electronics and photovoltaic materials. The extended π-conjugation system in its molecular structure, combined with electron-donating methoxy groups, makes it an interesting candidate for developing organic semiconductors or light-harvesting materials. Researchers are investigating its optical properties and charge transport characteristics, which could lead to applications in OLED technology or solar cell components.

The analytical characterization of 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one employs various techniques including HPLC analysis, mass spectrometry, and NMR spectroscopy. These methods are crucial for quality control in production and for verifying the compound's purity in research applications. Recent advances in analytical instrumentation have improved the detection and quantification of such specialized organic compounds, supporting their development for various applications.

Market trends indicate growing demand for specialized coumarin derivatives like 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one, particularly in the pharmaceutical and specialty chemicals sectors. The compound's CAS number 62615-63-8 serves as a unique identifier in global chemical databases and regulatory documentation. As research continues to uncover new applications for this compound, its commercial significance is expected to increase, particularly in regions with strong biotechnology and advanced materials industries.

Safety considerations for handling 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one follow standard laboratory protocols for organic compounds. While not classified as hazardous under normal conditions, proper personal protective equipment and ventilation are recommended when working with this material. Researchers should consult the latest safety data sheets for specific handling instructions, especially when exploring new applications or formulations containing this compound.

Future research directions for 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one may focus on optimizing its biological activity through structural modifications or investigating its potential in combination therapies. The compound's unique substitution pattern offers opportunities for medicinal chemistry optimization and structure-activity relationship studies. Additionally, its applications in material science may expand as researchers develop new functional materials based on conjugated organic molecules.

For scientists and industry professionals seeking information about 4,6,7-Trimethoxy-5-methyl-2H-chromen-2-one CAS 62615-63-8, reliable sources include peer-reviewed journals specializing in organic chemistry, pharmaceutical research, and materials science. The compound's growing importance in multiple research areas ensures that new findings and applications continue to emerge in the scientific literature, making it an exciting subject for ongoing investigation and development.

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