Cas no 898758-51-5 (2-Tridecanoyloxazole)

2-Tridecanoyloxazole is a specialized oxazole derivative characterized by the presence of a tridecanoyl group at the 2-position of the oxazole ring. This compound is of interest in organic synthesis and materials science due to its unique structural properties, which facilitate its use as an intermediate in the development of heterocyclic compounds. The long alkyl chain enhances its lipophilicity, making it suitable for applications requiring solubility in nonpolar solvents. Its stability under various reaction conditions further underscores its utility in synthetic chemistry. Researchers value 2-Tridecanoyloxazole for its potential in designing functional molecules with tailored properties for industrial and academic applications.
2-Tridecanoyloxazole structure
2-Tridecanoyloxazole structure
Product Name:2-Tridecanoyloxazole
CAS No:898758-51-5
MF:C16H27NO2
MW:265.391084909439
MDL:MFCD07699293
CID:994012
PubChem ID:24723604
Update Time:2025-05-30

2-Tridecanoyloxazole Chemical and Physical Properties

Names and Identifiers

    • 1-(1,3-oxazol-2-yl)tridecan-1-one
    • 2-TRIDECANOYLOXAZOLE
    • DTXSID20642042
    • MFCD07699293
    • 898758-51-5
    • AKOS016019026
    • A916822
    • 1-(Oxazol-2-yl)tridecan-1-one
    • 1-Tridecanone, 1-(2-oxazolyl)-
    • 2-Tridecanoyloxazole
    • MDL: MFCD07699293
    • Inchi: 1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-17-13-14-19-16/h13-14H,2-12H2,1H3
    • InChI Key: ASCDMTJLKMAUPY-UHFFFAOYSA-N
    • SMILES: O=C(C1=NC=CO1)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 265.20400
  • Monoisotopic Mass: 265.204179104g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 12
  • Complexity: 231
  • 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: 6.1
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 0.952±0.06 g/cm3(Predicted)
  • Boiling Point: 363.1±25.0 °C(Predicted)
  • PSA: 43.10000
  • LogP: 5.16830
  • pka: -1.71±0.10(Predicted)

2-Tridecanoyloxazole Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-Tridecanoyloxazole Pricemore >>

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Additional information on 2-Tridecanoyloxazole

Comprehensive Analysis of 2-Tridecanoyloxazole (CAS No. 898758-51-5): Properties, Applications, and Industry Trends

2-Tridecanoyloxazole (CAS No. 898758-51-5) is a specialized organic compound belonging to the oxazole family, a class of heterocyclic molecules known for their diverse applications in pharmaceuticals, agrochemicals, and material science. This compound features a tridecanoyl side chain, which enhances its lipophilicity and potential for use in formulations requiring controlled release or targeted delivery. Researchers and industry professionals are increasingly interested in 2-Tridecanoyloxazole due to its unique structural properties and versatility in synthetic chemistry.

The growing demand for bioactive compounds and functional materials has propelled studies on 2-Tridecanoyloxazole as a potential intermediate or active ingredient. Its molecular structure, characterized by the oxazole ring and long alkyl chain, offers opportunities for modifications to optimize performance in specific applications. Recent trends in green chemistry and sustainable synthesis have also sparked interest in developing eco-friendly production methods for this compound, aligning with global efforts to reduce environmental impact.

In the pharmaceutical sector, 2-Tridecanoyloxazole is being explored for its potential as a drug precursor or excipient. The compound's amphiphilic nature makes it suitable for enhancing the solubility of poorly water-soluble drugs, a critical challenge in modern drug formulation. Additionally, its structural similarity to naturally occurring bioactive oxazoles suggests possible applications in antimicrobial or anti-inflammatory agents, though further research is needed to validate these hypotheses.

The agrochemical industry has shown interest in 2-Tridecanoyloxazole derivatives for developing novel crop protection agents. The compound's lipophilic properties may contribute to improved foliar adhesion and rainfastness, key factors in pesticide performance. With the rising focus on precision agriculture and reduced chemical load, researchers are investigating whether 2-Tridecanoyloxazole-based formulations could offer targeted pest control with minimized environmental impact.

Material scientists are examining 2-Tridecanoyloxazole for potential applications in advanced polymers and functional coatings. The compound's ability to influence surface properties and self-assembly characteristics makes it a candidate for developing smart materials with responsive behaviors. In particular, its incorporation into liquid crystal formulations or nanostructured materials could lead to innovations in display technologies or specialized coatings.

Analytical characterization of 2-Tridecanoyloxazole typically involves techniques such as HPLC, NMR spectroscopy, and mass spectrometry to ensure purity and confirm structural integrity. The compound's stability under various conditions is an active area of investigation, with particular attention to its behavior in different pH environments and temperature ranges. These studies are crucial for determining appropriate storage conditions and formulation strategies.

From a regulatory perspective, 2-Tridecanoyloxazole requires careful evaluation for specific applications. While not classified as hazardous under standard safety protocols, proper handling procedures should always be followed in laboratory and industrial settings. The compound's toxicological profile and ecotoxicological effects are subjects of ongoing research to establish comprehensive safety guidelines for various use scenarios.

The commercial availability of 2-Tridecanoyloxazole (CAS No. 898758-51-5) varies depending on regional suppliers and market demand. Procurement specialists often search for high-purity grades or custom synthesis options to meet specific research or production requirements. The development of cost-effective synthesis routes remains a priority for manufacturers aiming to scale up production while maintaining quality standards.

Future research directions for 2-Tridecanoyloxazole may focus on expanding its applications in biotechnology and nanomedicine. The compound's potential as a molecular scaffold for drug discovery or as a component in delivery systems warrants further investigation. Additionally, exploring its interactions with biological membranes and proteins could uncover novel therapeutic opportunities or diagnostic tools.

In conclusion, 2-Tridecanoyloxazole represents an intriguing compound with multifaceted potential across scientific and industrial domains. Its unique chemical properties position it as a valuable subject for ongoing research and development efforts. As scientific understanding of this molecule deepens and synthetic methodologies advance, we can anticipate broader applications emerging in fields ranging from medicinal chemistry to advanced materials engineering.

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