Cas no 2580239-31-0 (Tert-butyl 3-amino-1,2-oxazole-5-carboxylate)

Tert-butyl 3-amino-1,2-oxazole-5-carboxylate is a versatile heterocyclic building block widely used in organic synthesis and pharmaceutical research. Its key structural features include a reactive amino group and an ester functionality, enabling further derivatization for the construction of complex molecules. The tert-butyl ester group enhances solubility and stability, facilitating handling and purification. This compound is particularly valuable in medicinal chemistry for the development of oxazole-based scaffolds, which are prevalent in bioactive molecules. Its well-defined reactivity profile and compatibility with diverse reaction conditions make it a reliable intermediate for the synthesis of heterocyclic compounds, agrochemicals, and drug candidates.
Tert-butyl 3-amino-1,2-oxazole-5-carboxylate structure
2580239-31-0 structure
Product Name:Tert-butyl 3-amino-1,2-oxazole-5-carboxylate
CAS No:2580239-31-0
MF:C8H12N2O3
MW:184.192481994629
CID:5662247
PubChem ID:165887360
Update Time:2025-11-02

Tert-butyl 3-amino-1,2-oxazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 3-amino-1,2-oxazole-5-carboxylate
    • 2580239-31-0
    • EN300-27728686
    • Tert-butyl 3-amino-1,2-oxazole-5-carboxylate
    • Inchi: 1S/C8H12N2O3/c1-8(2,3)12-7(11)5-4-6(9)10-13-5/h4H,1-3H3,(H2,9,10)
    • InChI Key: OJELXUYVYYVJRN-UHFFFAOYSA-N
    • SMILES: O(C(C1=CC(N)=NO1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 184.08479225g/mol
  • Monoisotopic Mass: 184.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 200
  • 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: 1.2
  • Topological Polar Surface Area: 78.4?2

Tert-butyl 3-amino-1,2-oxazole-5-carboxylate Pricemore >>

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Additional information on Tert-butyl 3-amino-1,2-oxazole-5-carboxylate

Comprehensive Guide to Tert-butyl 3-amino-1,2-oxazole-5-carboxylate (CAS No. 2580239-31-0): Properties, Applications, and Market Insights

In the ever-evolving field of organic chemistry, Tert-butyl 3-amino-1,2-oxazole-5-carboxylate (CAS No. 2580239-31-0) has emerged as a compound of significant interest. This heterocyclic molecule, featuring an oxazole ring, is widely utilized in pharmaceutical research, agrochemical development, and material science. Its unique structural properties make it a versatile intermediate for synthesizing more complex molecules. Researchers and industry professionals are increasingly exploring its potential, especially in the context of drug discovery and sustainable chemistry.

The chemical structure of Tert-butyl 3-amino-1,2-oxazole-5-carboxylate includes a tert-butyl ester group and an amino substituent, which contribute to its reactivity and stability. These functional groups enable it to participate in various chemical reactions, such as amide couplings and nucleophilic substitutions, making it invaluable in synthetic chemistry. The compound's CAS number 2580239-31-0 is frequently searched in scientific databases, highlighting its relevance in contemporary research.

One of the most prominent applications of Tert-butyl 3-amino-1,2-oxazole-5-carboxylate is in the pharmaceutical industry. Its oxazole core is a common motif in bioactive molecules, often found in antibiotics, antivirals, and anti-inflammatory drugs. Recent studies have investigated its role in developing kinase inhibitors, a hot topic in cancer research. The compound's ability to act as a building block for drug candidates has made it a focal point for medicinal chemists.

Beyond pharmaceuticals, Tert-butyl 3-amino-1,2-oxazole-5-carboxylate is also explored in agrochemical formulations. The oxazole ring's stability under various environmental conditions makes it suitable for designing pesticides and herbicides with enhanced efficacy. This aligns with the growing demand for sustainable agricultural solutions, a key trend in the chemical industry. Researchers are particularly interested in its potential to reduce environmental impact while maintaining high crop yields.

The synthesis of Tert-butyl 3-amino-1,2-oxazole-5-carboxylate typically involves multi-step organic reactions, including cyclization and esterification. Optimizing these processes is a recurring theme in academic and industrial research, as efficiency and yield are critical for large-scale production. The compound's CAS number 2580239-31-0 is often referenced in patents and scientific literature, underscoring its commercial and scientific value.

Market trends indicate a rising demand for Tert-butyl 3-amino-1,2-oxazole-5-carboxylate, driven by advancements in drug discovery and agrochemical innovation. Suppliers and manufacturers are scaling up production to meet the needs of research institutions and pharmaceutical companies. The compound's tert-butyl group and amino functionality make it a preferred choice for custom synthesis projects, further boosting its market presence.

In conclusion, Tert-butyl 3-amino-1,2-oxazole-5-carboxylate (CAS No. 2580239-31-0) is a compound of immense scientific and industrial importance. Its applications span pharmaceuticals, agrochemicals, and material science, making it a subject of ongoing research and development. As the chemical industry continues to evolve, this compound is poised to play a pivotal role in addressing some of the most pressing challenges in healthcare and agriculture.

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