Cas no 933721-75-6 (1-(Isoxazol-5-yl)ethanamine)

1-(Isoxazol-5-yl)ethanamine is a versatile heterocyclic amine featuring an isoxazole core linked to an ethylamine moiety. This compound is of significant interest in pharmaceutical and agrochemical research due to its structural motif, which is commonly found in bioactive molecules. Its isoxazole ring provides stability and potential for diverse functionalization, while the amine group offers reactivity for further derivatization. The compound is particularly valuable in the synthesis of intermediates for drug discovery, where its scaffold can contribute to the development of novel therapeutic agents. High purity and well-characterized properties ensure its reliability for use in synthetic applications.
1-(Isoxazol-5-yl)ethanamine structure
1-(Isoxazol-5-yl)ethanamine structure
Product Name:1-(Isoxazol-5-yl)ethanamine
CAS No:933721-75-6
MF:C5H8N2O
MW:112.129820823669
MDL:MFCD09997823
CID:823324
PubChem ID:53407225
Update Time:2025-05-20

1-(Isoxazol-5-yl)ethanamine Chemical and Physical Properties

Names and Identifiers

    • 1-(Isoxazol-5-yl)ethanamine
    • 1-(1,2-Oxazol-5-yl)ethanamine
    • 1-Isoxazol-5-yl-ethylamine
    • FT-0709382
    • 933721-75-6
    • AKOS006220906
    • 1-(1,2-Oxazol-5-yl)ethan-1-amine
    • 1-Isoxazol-5-ylethylamine
    • SB40046
    • BB 0260552
    • SCHEMBL2187630
    • DTXSID30695822
    • MDL: MFCD09997823
    • Inchi: 1S/C5H8N2O/c1-4(6)5-2-3-7-8-5/h2-4H,6H2,1H3
    • InChI Key: NEUUDZFNGAFNIO-UHFFFAOYSA-N
    • SMILES: O1C(=CC=N1)C(C)N

Computed Properties

  • Exact Mass: 112.064
  • Monoisotopic Mass: 112.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 76.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52A^2
  • XLogP3: -0.3

Experimental Properties

  • Density: 1.091
  • Boiling Point: 199.1 °C at 760 mmHg
  • Flash Point: 74.2 °C

1-(Isoxazol-5-yl)ethanamine Pricemore >>

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1-(Isoxazol-5-yl)ethanamine Related Literature

Additional information on 1-(Isoxazol-5-yl)ethanamine

1-(Isoxazol-5-yl)ethanamine (CAS No. 933721-75-6): A Versatile Building Block in Modern Chemistry

1-(Isoxazol-5-yl)ethanamine (CAS No. 933721-75-6) is a specialized organic compound that has gained significant attention in pharmaceutical and agrochemical research. This isoxazole derivative serves as a crucial chemical building block for synthesizing various bioactive molecules. Its unique structure, featuring both an isoxazole ring and an ethylamine side chain, makes it particularly valuable in drug discovery programs targeting neurological disorders and infectious diseases.

The growing interest in 1-(Isoxazol-5-yl)ethanamine synthesis reflects current trends in medicinal chemistry, where researchers are increasingly focusing on heterocyclic compounds with potential therapeutic applications. Recent studies suggest that modifications of the isoxazole-5-amine scaffold can yield compounds with improved pharmacokinetic properties, addressing one of the most common challenges in modern drug development - bioavailability optimization.

From a structural perspective, 1-(Isoxazol-5-yl)ethanamine offers multiple sites for chemical modification, making it a versatile intermediate in organic synthesis. The isoxazole ring provides stability while maintaining reactivity, and the primary amine group allows for various coupling reactions. These characteristics explain why this compound appears in numerous patent applications related to CNS-active compounds and antimicrobial agents.

The synthesis of 1-(Isoxazol-5-yl)ethanamine hydrochloride and related derivatives has become a hot topic in pharmaceutical forums, particularly in discussions about fragment-based drug design. Researchers appreciate its balanced molecular weight and the potential to create bioisosteric replacements for more complex structures. This aligns perfectly with current industry demands for lead optimization strategies that can accelerate drug development timelines.

In material science applications, 1-(Isoxazol-5-yl)ethanamine derivatives have shown promise as components in functional polymers and coordination complexes. The compound's ability to form stable complexes with transition metals has opened new possibilities in catalyst design and molecular recognition systems. These applications are particularly relevant to the growing field of green chemistry, where efficient catalytic systems are in high demand.

The analytical characterization of 1-(Isoxazol-5-yl)ethanamine typically involves advanced techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography. These methods confirm the compound's purity and structure, which is crucial for its application in high-throughput screening programs. Recent improvements in analytical methodologies have made quality control of such specialty chemicals more reliable than ever before.

Market trends indicate growing demand for 1-(Isoxazol-5-yl)ethanamine suppliers who can provide consistent quality at various scales. Pharmaceutical companies particularly value suppliers who can offer both small-scale research quantities and bulk production capabilities. The compound's stability under standard storage conditions makes it attractive for inventory management in drug discovery pipelines.

From a regulatory perspective, 1-(Isoxazol-5-yl)ethanamine presents no significant handling challenges, which contributes to its popularity in academic research laboratories. Proper laboratory safety protocols are sufficient for its handling, making it accessible to a wide range of researchers. This accessibility has led to its inclusion in many combinatorial chemistry libraries used for hit identification.

Future research directions for 1-(Isoxazol-5-yl)ethanamine derivatives include exploration of their potential in targeted drug delivery systems and as molecular probes for biological studies. The compound's modular nature allows for the creation of diverse analogs that could address emerging therapeutic needs, particularly in areas like neurodegenerative disease research and antibiotic development.

For researchers considering 1-(Isoxazol-5-yl)ethanamine purchase, it's important to evaluate suppliers based on their quality control standards, documentation practices, and ability to provide custom synthesis services. The compound's growing importance in medicinal chemistry applications ensures that it will remain a valuable tool for drug discovery scientists in the coming years.

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