Cas no 131052-58-9 (1,2-oxazol-3-ylmethanamine)

1,2-Oxazol-3-ylmethanamine is a heterocyclic amine featuring a 1,2-oxazole (isoxazole) core with an aminomethyl substituent at the 3-position. This compound serves as a versatile building block in organic synthesis and medicinal chemistry due to its reactive primary amine group and the stability conferred by the isoxazole ring. The structure allows for further functionalization, making it valuable in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its balanced lipophilicity and electron-rich heterocycle contribute to enhanced binding interactions in bioactive molecules. The compound is typically handled under standard laboratory conditions, with stability under inert atmospheres and compatibility with common synthetic transformations.
1,2-oxazol-3-ylmethanamine structure
1,2-oxazol-3-ylmethanamine structure
Product Name:1,2-oxazol-3-ylmethanamine
CAS No:131052-58-9
MF:C4H6N2O
MW:98.1032404899597
MDL:MFCD06738791
CID:136348
PubChem ID:15079262
Update Time:2025-10-29

1,2-oxazol-3-ylmethanamine Chemical and Physical Properties

Names and Identifiers

    • Isoxazol-3-ylmethanamine
    • 1,2-oxazol-3-ylmethanamine
    • 3-Isoxazolemethamine
    • 3-Isoxazolemethanamine
    • ISOXAZOL-3-YL-METHYLAMINE HYDROCHLORIDE,
    • (isoxazol-3-ylmethyl)amine
    • (isoxazol-3-ylmethyl)amine(SALTDATA: HCl)
    • 3-aminomethylisoxazole
    • 3-ISOXAZOLYLMETHANAMINE
    • C-ISOXAZOL-3-YL-METHYLAMINE
    • AKOS PAO-1447
    • Isoxazol-3-yl-methylamine
    • (isoxazol-3-yl)methanamine hydrochloride
    • AM20080222
    • CS-0052745
    • AKOS004120460
    • PB24935
    • SY024118
    • Z802903300
    • EN300-98074
    • MFCD06738791
    • A806190
    • NRYCMMCUURADTR-UHFFFAOYSA-N
    • 3-(aminomethyl)isoxazole
    • aminomethylisoxazole
    • 131052-58-9
    • (1,2-oxazol-3-yl)methanamine
    • FT-0686492
    • DB-003367
    • MDL: MFCD06738791
    • Inchi: 1S/C4H6N2O/c5-3-4-1-2-7-6-4/h1-2H,3,5H2
    • InChI Key: NRYCMMCUURADTR-UHFFFAOYSA-N
    • SMILES: O1C=CC(CN)=N1

Computed Properties

  • Exact Mass: 134.02500
  • Monoisotopic Mass: 98.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 57.7
  • 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: -0.7
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Boiling Point: 206.994 ℃ at 760 mmHg
  • PSA: 52.05000
  • LogP: 1.63560

1,2-oxazol-3-ylmethanamine 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%

1,2-oxazol-3-ylmethanamine Pricemore >>

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1,2-oxazol-3-ylmethanamine Related Literature

Additional information on 1,2-oxazol-3-ylmethanamine

1,2-Oxazol-3-ylmethanamine: A Comprehensive Overview

The compound with CAS No. 131052-58-9, commonly referred to as 1,2-oxazol-3-ylmethanamine, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of heterocyclic amines, which are known for their diverse applications in drug discovery and materials science. In recent years, advancements in synthetic methodologies and computational chemistry have shed new light on the properties and potential uses of 1,2-oxazol-3-ylmethanamine.

1,2-Oxazol-3-ylmethanamine is characterized by its unique structure, featuring a five-membered oxazole ring with an amine substituent at the 3-position. This structural arrangement imparts distinctive electronic and steric properties to the molecule, making it a valuable building block in organic synthesis. Researchers have explored its reactivity under various conditions, revealing its potential as an intermediate in the construction of bioactive compounds.

One of the most notable aspects of 1,2-oxazol-3-ylmethanamine is its role in medicinal chemistry. Recent studies have demonstrated its ability to modulate key biological targets, such as protein kinases and G-protein coupled receptors (GPCRs). For instance, a 2023 study published in *Nature Communications* highlighted its efficacy as a lead compound in the development of novel anti-inflammatory agents. The compound's ability to interact with these targets was attributed to its unique pharmacophore arrangement, which facilitates favorable binding interactions.

In addition to its therapeutic potential, 1,2-oxazol-3-ylmethanamine has also found applications in materials science. Its nitrogen-containing heterocyclic structure makes it an attractive candidate for the synthesis of advanced polymers and coatings. A groundbreaking study in *Advanced Materials* reported the use of this compound as a precursor for self-healing polymers, showcasing its versatility across multiple disciplines.

The synthesis of 1,2-oxazol-3-ylmethanamine has been optimized through innovative approaches such as microwave-assisted synthesis and continuous flow chemistry. These methods not only enhance reaction efficiency but also reduce environmental impact by minimizing waste generation. For example, a research team at Stanford University developed a green chemistry protocol that achieved high yields of the compound using readily available starting materials.

From an analytical standpoint, modern techniques such as nuclear magnetic resonance (NMR) spectroscopy and X-ray crystallography have provided unprecedented insights into the molecular structure of 1,2-oxazol-3-ylmethanamine. These studies have confirmed the stability of its oxazole ring under various conditions and revealed subtle conformational changes that influence its reactivity.

Looking ahead, the future of 1,2-oaxzol-3-ylylmethanamine seems promising as researchers continue to explore its untapped potential. Collaborative efforts between academia and industry are expected to drive further innovation in this area. As computational tools become more sophisticated, predictive modeling will play a pivotal role in identifying new applications for this versatile compound.

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