Cas no 206055-91-6 (3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol)

3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol is a brominated isoxazole derivative with significant utility in organic synthesis and pharmaceutical research. Its key structural features include a 4-bromophenyl group and a hydroxymethyl substituent on the isoxazole ring, making it a versatile intermediate for further functionalization. The bromine moiety offers a reactive site for cross-coupling reactions, while the hydroxymethyl group allows for derivatization into esters, ethers, or other modified structures. This compound is particularly valuable in the development of bioactive molecules, given the prevalence of isoxazole scaffolds in medicinal chemistry. Its well-defined purity and stability ensure reliable performance in synthetic applications.
3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol structure
206055-91-6 structure
Product Name:3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol
CAS No:206055-91-6
MF:C10H8BrNO2
MW:254.080021858215
MDL:MFCD06656791
CID:823724
PubChem ID:11032412
Update Time:2025-05-20

3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol Chemical and Physical Properties

Names and Identifiers

    • (3-(4-Bromophenyl)isoxazol-5-yl)methanol
    • [3-(4-bromophenyl)-1,2-oxazol-5-yl]methanol
    • [3-(4-BROMO-PHENYL)-ISOXAZOL-5-YL]-METHANOL
    • [3-(4-bromophenyl)-isoxazol-5-yl]-methanol
    • [3-(4-BROMOPHENYL)ISOXAZOL-5-YL]METHANOL,
    • 5-Bromomethyl-3-(4-bromophenyl)-isoxazole
    • [3-(4-bromophenyl)-5-(hydroxymethyl)]isoxazole
    • AB25559
    • AK121987
    • KB-206920
    • SureCN3233333
    • DS-6412
    • (3-(4-Bromophenyl)isoxazol-5-yl)methanol, AldrichCPR
    • J-013460
    • MFCD06656791
    • CBTFIJPSRUYXHW-UHFFFAOYSA-N
    • AKOS013482593
    • DTXSID20452688
    • [3-(4-Bromophenyl)isoxazol-5-yl]methanol
    • SCHEMBL3233333
    • 5-Isoxazolemethanol, 3-(4-bromophenyl)-
    • CS-0157597
    • 206055-91-6
    • 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol
    • MDL: MFCD06656791
    • Inchi: 1S/C10H8BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2
    • InChI Key: CBTFIJPSRUYXHW-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1C=C(CO)ON=1

Computed Properties

  • Exact Mass: 252.97400
  • Monoisotopic Mass: 252.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 183
  • 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: 1.9
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • PSA: 46.26000
  • LogP: 2.59640

3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol 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%

3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol Pricemore >>

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3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol Production Method

Additional information on 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol

3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol (CAS 206055-91-6): A Versatile Chemical Building Block

3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol (CAS 206055-91-6) is an important heterocyclic compound that has gained significant attention in pharmaceutical and material science research. This brominated isoxazole derivative serves as a valuable chemical intermediate for various synthetic applications. The compound features both an isoxazole ring and a hydroxymethyl group, making it particularly useful for further functionalization in organic synthesis.

The molecular structure of 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol combines the unique properties of an aromatic bromo substituent with the isoxazole heterocycle, creating a scaffold that's highly sought after in medicinal chemistry. Researchers are particularly interested in this compound's potential as a pharmacophore in drug discovery, especially in the development of anti-inflammatory agents and CNS-targeted therapeutics, which are currently hot topics in pharmaceutical research.

Recent trends in chemical research show growing interest in isoxazole-containing compounds like 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol due to their diverse biological activities. The compound's bromophenyl moiety allows for various cross-coupling reactions, making it valuable for creating more complex molecular architectures. This aligns well with current industry demands for versatile building blocks in drug discovery programs.

In material science applications, 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol has shown promise as a precursor for functional polymers and advanced materials. The hydroxymethyl group provides an excellent handle for polymerization reactions or further derivatization. Researchers are exploring its use in creating photoactive materials and molecular sensors, areas that have seen significant growth in recent years.

The synthesis and applications of 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol are frequently discussed in scientific literature, particularly in contexts involving click chemistry and bioorthogonal reactions. These methodologies are currently revolutionizing drug discovery and bioconjugation techniques. The compound's stability and reactivity profile make it suitable for various catalyzed transformations that are central to modern synthetic strategies.

Quality control of 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol typically involves advanced analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure the compound meets the stringent purity requirements for research and development applications. The growing emphasis on green chemistry principles has also led to investigations into more sustainable production methods for this and similar heterocyclic building blocks.

From a commercial perspective, 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol has seen steady demand from pharmaceutical and chemical research institutions. The compound is typically supplied in research quantities with detailed certificates of analysis, and its market availability reflects the broader trends in specialty chemicals for drug discovery. Suppliers often highlight its potential in fragment-based drug design and combinatorial chemistry applications.

Storage and handling of 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol require standard laboratory precautions for organic compounds. The material is generally stable under recommended storage conditions, though proper chemical compatibility assessments should be performed when planning experiments. These considerations align with current best practices in laboratory safety and chemical management protocols.

Future research directions for 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol may include exploration of its biological activities, development of novel synthetic methodologies using this scaffold, and investigation of its potential in catalysis and material science applications. The compound's structural features make it particularly interesting for medicinal chemistry optimization programs targeting various disease areas.

In conclusion, 3-(4-Bromo-phenyl)-isoxazol-5-yl-methanol (CAS 206055-91-6) represents a valuable chemical intermediate with diverse applications across multiple scientific disciplines. Its unique combination of aromatic bromine and isoxazole functionality ensures continued interest from researchers in both academia and industry. As synthetic methodologies advance and new applications emerge, this compound is likely to maintain its importance in the specialty chemicals landscape.

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