Cas no 925006-96-8 (Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate)

Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate is a synthetic organic compound featuring an isoxazole core substituted with a 4-methoxyphenyl group at the 5-position and an ethyl ester at the 3-position. This structure imparts versatility in pharmaceutical and agrochemical applications, serving as a key intermediate in the synthesis of bioactive molecules. The methoxy group enhances electron density, influencing reactivity in cross-coupling and cyclization reactions. Its ester functionality allows for further derivatization, making it valuable in medicinal chemistry for drug discovery. The compound exhibits stability under standard conditions, ensuring reliable handling and storage. Its well-defined synthetic pathway supports scalable production for research and industrial use.
Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate structure
925006-96-8 structure
Product Name:Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate
CAS No:925006-96-8
MF:C13H13NO4
MW:247.246623754501
MDL:MFCD08446406
CID:998598
Update Time:2025-10-29

Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-(4-methoxyphenyl)isoxazole-3-carboxylate
    • Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
    • Ethyl 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylate
    • AK113890
    • OHKWTCCYUHOKLC-UHFFFAOYSA-N
    • 5635AC
    • ST2419326
    • AX8166997
    • 3-ethoxycarbonyl-5-(4-methoxyphenyl)isoxazole
    • 23M967
    • Ethyl 5-(4-methoxyphenyl)-isoxazole-3-carboxylate
    • 5-(4-Methoxy-phenyl)-isoxazole-3-carboxylic acid ethyl ester
    • Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate
    • MDL： MFCD08446406
    • Inchi： 1S/C13H13NO4/c1-3-17-13(15)11-8-12(18-14-11)9-4-6-10(16-2)7-5-9/h4-8H,3H2,1-2H3
    • InChI Key： OHKWTCCYUHOKLC-UHFFFAOYSA-N
    • SMILES： O1C(=CC(C(=O)OCC)=N1)C1C=CC(=CC=1)OC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 276
  • Topological Polar Surface Area: 61.6

Experimental Properties

  • Boiling Point: 413.3±40.0°C at 760 mmHg

Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate Security Information

  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P280-P305+P351+P338
  • Storage Condition：Sealed in dry,Room Temperature

Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate Pricemore >>

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Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate Related Literature

Additional information on Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate

Recent Advances in the Study of Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate (CAS: 925006-96-8)

Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate (CAS: 925006-96-8) is a chemical compound that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential therapeutic applications. This compound, characterized by its isoxazole core and methoxyphenyl substituent, has been the subject of recent studies exploring its pharmacological properties, synthetic pathways, and mechanisms of action. The following sections provide a comprehensive overview of the latest research findings related to this compound.

Recent studies have focused on the synthesis and optimization of Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate, aiming to improve yield and purity for large-scale production. A 2023 publication in the Journal of Medicinal Chemistry detailed a novel catalytic method for the synthesis of this compound, utilizing palladium-catalyzed cross-coupling reactions to achieve higher efficiency and reduced by-products. The study reported a yield of 85% under optimized conditions, marking a significant improvement over traditional methods.

In addition to synthetic advancements, research has also explored the biological activities of Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate. A study published in Bioorganic & Medicinal Chemistry Letters in 2024 demonstrated its potential as an anti-inflammatory agent. The compound exhibited inhibitory effects on key inflammatory markers, such as TNF-α and IL-6, in vitro, suggesting its utility in treating inflammatory diseases. Further in vivo studies are underway to validate these findings.

Another area of interest is the compound's role in cancer therapy. Preliminary data from a 2024 study in Molecular Cancer Therapeutics indicated that Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate could inhibit the proliferation of certain cancer cell lines, particularly those associated with breast and lung cancers. The mechanism appears to involve the modulation of the PI3K/AKT signaling pathway, a critical regulator of cell survival and growth. These findings highlight the compound's potential as a lead candidate for further drug development.

Despite these promising results, challenges remain in the clinical translation of Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate. Issues such as bioavailability, metabolic stability, and potential toxicity need to be addressed through comprehensive pharmacokinetic and toxicological studies. Recent efforts have focused on structural modifications to enhance these properties, as reported in a 2023 study in European Journal of Medicinal Chemistry.

In conclusion, Ethyl 5-(4-Methoxyphenyl)-isoxazole-3-carboxylate (CAS: 925006-96-8) represents a promising compound with diverse therapeutic potential. Ongoing research aims to optimize its synthesis, elucidate its mechanisms of action, and overcome current limitations to pave the way for clinical applications. The compound's versatility and efficacy make it a valuable subject of study in the field of chemical biology and medicinal chemistry.

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