Cas no 2169322-30-7 (2-bromoethyl 1,2-oxazole-3-carboxylate)

2-Bromoethyl 1,2-oxazole-3-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its reactive bromoethyl and carboxylate functional groups. The bromoethyl moiety facilitates nucleophilic substitution reactions, enabling the introduction of oxazole derivatives into more complex molecular frameworks. The 1,2-oxazole-3-carboxylate group contributes to its utility in heterocyclic chemistry, serving as a precursor for pharmaceuticals, agrochemicals, and materials science applications. Its stability under controlled conditions and compatibility with various synthetic methodologies make it a practical choice for researchers. The compound’s distinct reactivity profile allows for selective modifications, supporting the development of targeted bioactive molecules or functional materials.
2-bromoethyl 1,2-oxazole-3-carboxylate structure
2169322-30-7 structure
Product Name:2-bromoethyl 1,2-oxazole-3-carboxylate
CAS No:2169322-30-7
MF:C6H6BrNO3
MW:220.02074098587
CID:6227522
PubChem ID:165547005
Update Time:2025-06-09

2-bromoethyl 1,2-oxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-bromoethyl 1,2-oxazole-3-carboxylate
    • 2169322-30-7
    • EN300-1478675
    • Inchi: 1S/C6H6BrNO3/c7-2-4-10-6(9)5-1-3-11-8-5/h1,3H,2,4H2
    • InChI Key: UVFAOHAOHNEYJJ-UHFFFAOYSA-N
    • SMILES: BrCCOC(C1C=CON=1)=O

Computed Properties

  • Exact Mass: 218.95311g/mol
  • Monoisotopic Mass: 218.95311g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 142
  • 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: 1.3
  • Topological Polar Surface Area: 52.3?2

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Additional information on 2-bromoethyl 1,2-oxazole-3-carboxylate

Comprehensive Overview of 2-Bromoethyl 1,2-Oxazole-3-Carboxylate (CAS No. 2169322-30-7): Properties, Applications, and Industry Insights

2-Bromoethyl 1,2-oxazole-3-carboxylate (CAS No. 2169322-30-7) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique molecular structure. This heterocyclic ester combines a 1,2-oxazole ring with a bromoethyl ester moiety, making it a versatile intermediate for synthesizing bioactive molecules. Its CAS registry number ensures precise identification in global chemical databases, while its IUPAC name reflects its functional groups.

Recent trends in drug discovery highlight the demand for novel oxazole derivatives, as they exhibit antimicrobial, anti-inflammatory, and anticancer properties. Researchers are exploring 2-bromoethyl 1,2-oxazole-3-carboxylate as a precursor for small-molecule inhibitors targeting enzyme pathways. In agrochemistry, its potential as a crop protection agent aligns with the growing focus on sustainable agriculture. The compound’s reactivity allows modifications to enhance solubility or bioavailability, addressing common challenges in formulation development.

The synthesis of CAS 2169322-30-7 typically involves esterification of 1,2-oxazole-3-carboxylic acid followed by bromination. Analytical techniques like HPLC and NMR spectroscopy confirm its purity, critical for GMP compliance in pharmaceutical applications. Users frequently search for "oxazole carboxylate solubility" or "bromoethyl ester stability," underscoring the need for detailed technical data. Storage recommendations often include protection from moisture and light to maintain chemical integrity.

Innovations in green chemistry have spurred interest in eco-friendly synthesis routes for 2-bromoethyl 1,2-oxazole-3-carboxylate. Catalytic methods reducing organic solvent usage resonate with industries aiming for carbon footprint reduction. Additionally, computational studies (QSAR modeling) predict its interactions with biological targets, accelerating high-throughput screening processes. These advancements align with search queries like "oxazole derivatives in drug design" or "CAS 2169322-30-7 suppliers," reflecting market demand.

Quality control protocols for 2169322-30-7 emphasize chromatographic purity (>98%) and low heavy-metal content, ensuring safety in API manufacturing. Regulatory frameworks like REACH and FDA guidelines govern its use, with suppliers providing MSDS documentation for risk assessment. The compound’s melting point and spectral data (IR, MS) are frequently requested, highlighting its role in analytical method development.

Future prospects for 2-bromoethyl 1,2-oxazole-3-carboxylate include applications in bioconjugation for antibody-drug conjugates (ADCs) and proteolysis-targeting chimeras (PROTACs). As the pharmaceutical industry shifts toward targeted therapies, this compound’s adaptability positions it as a key building block. Searches for "oxazole-based scaffolds 2024" or "bromoethyl ester reactivity" indicate sustained academic and industrial interest.

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