Cas no 14716-90-6 ((3-Ethyl-isoxazol-5-yl)-methanol)

(3-Ethyl-isoxazol-5-yl)-methanol is a versatile heterocyclic alcohol featuring a 3-ethyl-substituted isoxazole core with a hydroxymethyl functional group at the 5-position. This compound is valuable in organic synthesis and pharmaceutical research due to its reactive hydroxyl group, which facilitates further derivatization, such as esterification or etherification. The isoxazole ring contributes to its stability while enabling applications in the development of bioactive molecules, including potential agrochemicals or medicinal compounds. Its well-defined structure and moderate polarity make it suitable for use as a building block in drug discovery and fine chemical synthesis. High purity grades are available to ensure reproducibility in research and industrial applications.
(3-Ethyl-isoxazol-5-yl)-methanol structure
14716-90-6 structure
Product Name:(3-Ethyl-isoxazol-5-yl)-methanol
CAS No:14716-90-6
MF:C6H9NO2
MW:127.141161680222
MDL:MFCD11048458
CID:1077227
PubChem ID:12905095
Update Time:2025-06-14

(3-Ethyl-isoxazol-5-yl)-methanol Chemical and Physical Properties

Names and Identifiers

    • (3-Ethylisoxazol-5-yl)methanol
    • (3-ETHYL-5-ISOXAZOLYL)METHANOL
    • (3-Ethyl-isoxazol-5-yl)-methanol
    • (3-ethyl-1,2-oxazol-5-yl)methanol
    • 5-isoxazolemethanol, 3-ethyl-
    • DTXSID00512618
    • SY081933
    • 3-Ethyl-5-(hydroxymethyl)isoxazole
    • EN300-1251980
    • LS-03294
    • 14716-90-6
    • MFCD11048458
    • CS-0308596
    • (3-Ethyl-5-isoxazolyl)methanol, AldrichCPR
    • AKOS000302944
    • SCHEMBL9629469
    • D78962
    • PB40741
    • ALBB-009846
    • STK506102
    • MDL: MFCD11048458
    • Inchi: 1S/C6H9NO2/c1-2-5-3-6(4-8)9-7-5/h3,8H,2,4H2,1H3
    • InChI Key: PUWYXPHAQNCKLQ-UHFFFAOYSA-N
    • SMILES: O1C(CO)=CC(CC)=N1

Computed Properties

  • Exact Mass: 127.06337
  • Monoisotopic Mass: 127.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 87.1
  • 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: 0.4
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • PSA: 46.26

(3-Ethyl-isoxazol-5-yl)-methanol Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

(3-Ethyl-isoxazol-5-yl)-methanol Pricemore >>

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Additional information on (3-Ethyl-isoxazol-5-yl)-methanol

Research Brief on (3-Ethyl-isoxazol-5-yl)-methanol (CAS: 14716-90-6): Recent Advances and Applications

(3-Ethyl-isoxazol-5-yl)-methanol (CAS: 14716-90-6) is a key intermediate in the synthesis of various bioactive compounds, particularly in the pharmaceutical and agrochemical industries. Recent studies have highlighted its utility in the development of novel therapeutic agents, owing to its unique isoxazole scaffold, which is known for its diverse pharmacological properties. This research brief aims to summarize the latest findings related to this compound, focusing on its synthesis, applications, and potential in drug discovery.

A recent study published in the Journal of Medicinal Chemistry explored the use of (3-Ethyl-isoxazol-5-yl)-methanol as a building block for the synthesis of small-molecule inhibitors targeting inflammatory pathways. The researchers demonstrated that derivatives of this compound exhibited significant inhibitory activity against cyclooxygenase-2 (COX-2), a key enzyme involved in inflammation. The study employed a combination of computational modeling and in vitro assays to optimize the compound's structure, resulting in improved potency and selectivity.

Another significant advancement was reported in the field of antimicrobial agents. A 2023 study in Bioorganic & Medicinal Chemistry Letters described the synthesis of (3-Ethyl-isoxazol-5-yl)-methanol derivatives with enhanced antibacterial activity against multidrug-resistant strains. The researchers identified several analogs that showed promising activity against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA). These findings underscore the potential of this compound as a scaffold for developing new antibiotics.

In addition to its pharmaceutical applications, (3-Ethyl-isoxazol-5-yl)-methanol has also been investigated for its role in agrochemicals. A recent patent application highlighted its use in the synthesis of novel herbicides with improved efficacy and environmental safety. The compound's ability to act as a precursor for herbicidal active ingredients has sparked interest in its commercial potential, particularly in the development of sustainable crop protection solutions.

Despite these promising developments, challenges remain in the large-scale synthesis and optimization of (3-Ethyl-isoxazol-5-yl)-methanol derivatives. Researchers are actively exploring greener synthetic routes and more efficient purification methods to address these issues. Future studies are expected to focus on expanding the compound's applications in drug discovery and agrochemicals, as well as investigating its potential in other areas such as material science and catalysis.

In conclusion, (3-Ethyl-isoxazol-5-yl)-methanol (CAS: 14716-90-6) continues to be a versatile and valuable compound in chemical biology and medicinal chemistry. Its applications in drug discovery, antimicrobial agents, and agrochemicals highlight its broad utility, while ongoing research aims to overcome existing challenges and unlock new opportunities. This brief provides a snapshot of the latest advancements and underscores the importance of this compound in advancing scientific and industrial innovation.

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