Cas no 57615-54-0 (9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl-)

1,3-Dimethoxy-5-methyl-9H-xanthen-9-one is a substituted xanthenone derivative characterized by its methoxy and methyl functional groups at the 1, 3, and 5 positions, respectively. This compound is of interest in organic synthesis and materials science due to its rigid polycyclic structure, which contributes to stability and potential photophysical properties. The electron-donating methoxy groups may enhance its utility as a building block for fluorescent dyes or optoelectronic materials. Its well-defined molecular framework also makes it suitable for mechanistic studies in oxidation or photochemical reactions. The compound is typically synthesized via controlled cyclization and substitution reactions, ensuring high purity for research applications.
9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl- structure
57615-54-0 structure
Product Name:9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl-
CAS No:57615-54-0
MF:C16H14O4
MW:270.279964923859
CID:344819
PubChem ID:12320040
Update Time:2025-05-24

9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl-
    • 1,3-dimethoxy-5-methylxanthen-9-one
    • 57615-54-0
    • 1,3-DIMETHOXY-5-METHYL-9H-XANTHEN-9-ONE
    • DTXSID70488311
    • Inchi: 1S/C16H14O4/c1-9-5-4-6-11-15(17)14-12(19-3)7-10(18-2)8-13(14)20-16(9)11/h4-8H,1-3H3
    • InChI Key: BQUUZXJIPJEAQQ-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C=C(C=2C(C2C=CC=C(C)C1=2)=O)OC)OC

Computed Properties

  • Exact Mass: 270.08922
  • Monoisotopic Mass: 270.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 370
  • 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: 3.3
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76

9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
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1,3-Dimethoxy-5-methyl-9H-xanthen-9-one
57615-54-0 97%
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$*** 2023-05-30

Additional information on 9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl-

Recent Advances in the Study of 9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl- (CAS: 57615-54-0): A Comprehensive Research Brief

The compound 9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl- (CAS: 57615-54-0) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This xanthene derivative, known for its unique structural and functional properties, has been the subject of multiple studies exploring its potential applications in drug discovery, photodynamic therapy, and material science. The present research brief aims to synthesize the latest findings related to this compound, providing a comprehensive overview of its biological activities, synthetic pathways, and emerging applications.

Recent studies have highlighted the compound's role as a promising scaffold for the development of novel therapeutic agents. Its structural features, including the xanthene core and methoxy substitutions, contribute to its ability to interact with various biological targets. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl- exhibit potent inhibitory effects against specific kinase enzymes implicated in cancer progression. The study utilized molecular docking and in vitro assays to elucidate the binding mechanisms, revealing a high affinity for the ATP-binding sites of these kinases.

In addition to its pharmacological potential, the compound has also been investigated for its photophysical properties. Research published in ACS Applied Materials & Interfaces (2024) explored its use as a photosensitizer in photodynamic therapy (PDT). The study reported that the compound's ability to generate reactive oxygen species (ROS) upon light irradiation makes it a viable candidate for targeting tumor cells. Furthermore, its stability and solubility profiles were optimized through structural modifications, enhancing its suitability for clinical applications.

The synthetic pathways for 9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl- have also been refined in recent years. A 2023 paper in Organic Letters detailed a novel, high-yield synthesis route employing palladium-catalyzed cross-coupling reactions. This method not only improved the efficiency of production but also reduced the environmental impact compared to traditional approaches. The study emphasized the scalability of this synthetic route, which is critical for industrial applications.

Despite these advancements, challenges remain in the development and application of this compound. Issues such as bioavailability, toxicity, and long-term stability need to be addressed in future research. Ongoing studies are focusing on nanoparticle-based delivery systems to enhance the compound's pharmacokinetic properties. Preliminary results from a 2024 preclinical trial suggest that encapsulation in lipid nanoparticles significantly improves its therapeutic index.

In conclusion, 9H-Xanthen-9-one, 1,3-dimethoxy-5-methyl- (CAS: 57615-54-0) represents a versatile and promising compound in the realm of chemical biology and pharmaceuticals. Its diverse applications, from kinase inhibition to photodynamic therapy, underscore its potential as a multifunctional agent. Continued research and development efforts are expected to further unlock its capabilities, paving the way for innovative therapeutic and diagnostic solutions.

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