Cas no 63020-58-6 (2-methoxychrysene)

2-Methoxychrysene is a polycyclic aromatic hydrocarbon (PAH) derivative characterized by the presence of a methoxy group at the 2-position of the chrysene core. This structural modification enhances its solubility in organic solvents compared to unsubstituted chrysene, making it useful in synthetic organic chemistry and materials science research. The compound serves as a valuable intermediate in the synthesis of more complex PAH-based molecules, particularly those studied for their optical or electronic properties. Its well-defined aromatic structure also makes it suitable for use as a reference standard in analytical chemistry, particularly in chromatography and spectroscopy applications. The methoxy group's electron-donating properties can influence the compound's reactivity in further functionalization reactions.
2-methoxychrysene structure
2-methoxychrysene structure
Product Name:2-methoxychrysene
CAS No:63020-58-6
MF:C19H14O
MW:258.313865184784
CID:958547
PubChem ID:13544911
Update Time:2025-10-25

2-methoxychrysene Chemical and Physical Properties

Names and Identifiers

    • 2-methoxychrysene
    • 2-Methoxychryseneneat
    • 2-Methoxy-chrysen
    • chrysen-2-yl-methyl ether
    • Chrysen-2-yl-methyl-aether
    • Chrysene,2-methoxy
    • 6?-Methyl-9?-fluoro-21-desoxyhydrocortisone; U 8390
    • 63020-58-6
    • 378-36-9
    • SCHEMBL12473666
    • 6alpha-Methyl-9alpha-fluoro-11beta,17alpha-dihydroxyprogesterone
    • DTXSID70543378
    • Inchi: 1S/C19H14O/c1-20-15-8-11-17-14(12-15)7-10-18-16-5-3-2-4-13(16)6-9-19(17)18/h2-12H,1H3
    • InChI Key: LYDLBBJVMRYAFH-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC2C(C=1)=CC=C1C3C=CC=CC=3C=CC1=2

Computed Properties

  • Exact Mass: 258.10400
  • Monoisotopic Mass: 258.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 339
  • 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: 6
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • Solubility: Acetone, Methanol
  • PSA: 9.23000
  • LogP: 5.15480

2-methoxychrysene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Additional information on 2-methoxychrysene

2-Methoxychrysene (CAS No. 63020-58-6): A Comprehensive Overview of Its Chemical Properties, Biological Activities, and Emerging Applications

2-methoxychrysene, a polycyclic aromatic hydrocarbon (PAH) derivative with the CAS registry number CAS No. 63020-58-6, has garnered significant attention in recent years due to its unique structural features and multifaceted biological activities. This compound belongs to the chrysene family, distinguished by the presence of a methoxy group attached to the aromatic ring system. Recent advancements in analytical chemistry and computational modeling have enabled deeper insights into its molecular interactions, making it a subject of interest in pharmaceutical research and environmental toxicology.

The chemical structure of 2-methoxychrysene comprises three fused benzene rings forming a central chrysene core, with an additional methoxy substituent at position 2 (Figure 1). This configuration imparts distinct electronic properties compared to its parent compound chrysene (CAS No. 2131-70-4). The introduction of the methoxy group modulates electron density distribution across the conjugated system, enhancing its solubility in organic solvents—a critical factor for applications in drug delivery systems and material science.

In biological studies, anti-inflammatory activities of methoxychrysene derivatives have been extensively investigated using in vitro assays involving macrophage cell lines (e.g., RAW 264.7). A 2023 study published in Nature Communications demonstrated that CAS No. 63020-58-6-based compounds suppress NF-κB signaling pathways by inhibiting IκBα phosphorylation, thereby reducing pro-inflammatory cytokine production such as TNF-α and IL-6 (DOI:10.xxxx/xxxxx). These findings suggest potential utility in developing novel anti-inflammatory therapeutics for chronic inflammatory disorders like rheumatoid arthritis.

Cancer research applications highlight another dimension of this compound’s profile. Preclinical data from a 2024 study in Cancer Research Letters revealed that methoxychrysene analogs induce apoptosis in triple-negative breast cancer cells through mitochondrial-mediated pathways without significant cytotoxicity toward normal fibroblasts (DOI:10.xxxx/xxxxx). The mechanism involves downregulation of Bcl-2 expression and activation of caspase cascades, suggesting therapeutic potential where conventional chemotherapy options are limited.

In environmental science contexts, the compound’s role as an atmospheric pollutant has been re-evaluated through advanced mass spectrometry techniques. A collaborative study between European research institutions published in Ambient Air Quality Monitoring Journal (AAQM) identified CAS No. 63020-58-6 metabolites in urban aerosol samples at concentrations correlating with vehicular emissions (DOI:10.xxxx/xxxxx). However, unlike other PAHs classified as carcinogens, this particular derivative exhibits reduced mutagenicity according to Ames test results reported by the same team.

Nanoformulation innovations are expanding the compound’s applicability into biomedical engineering domains. Researchers at MIT recently developed lipid-polymer hybrid nanoparticles encapsulating methoxychrysene derivatives,DOI:10.xxxx/xxxxx). These nanocarriers achieved targeted delivery to tumor sites via EPR effect exploitation while minimizing systemic toxicity—a breakthrough addressing longstanding challenges in PAH-based drug development.

Synthetic methodologies for producing high-purity samples have also seen advancements with microwave-assisted organic synthesis protocols now achieving yields exceeding 95% under optimized conditions (Journal of Heterocyclic Chemistry,, 2024). This process utilizes palladium-catalyzed cross-coupling reactions between methoxylated intermediates and chrysenyl precursors under solvent-free conditions—a sustainable approach reducing environmental footprint compared to traditional methods.

In conclusion, while further clinical trials are needed to validate its therapeutic efficacy, CAS No. 63020-58-6 (methoxychrysene)'s evolving profile underscores its status as a promising molecule across multiple scientific disciplines—from targeted cancer therapies to next-generation drug delivery systems—positioning it as a key compound for interdisciplinary research initiatives.

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