Cas no 1378827-36-1 (3-(Bromomethyl)-5-ethyl-1,2-oxazole)

3-(Bromomethyl)-5-ethyl-1,2-oxazole is a brominated heterocyclic compound featuring a reactive bromomethyl group attached to a 5-ethyl-substituted oxazole ring. This structure makes it a valuable intermediate in organic synthesis, particularly for functionalization reactions such as nucleophilic substitutions or cross-coupling processes. The oxazole core contributes to its utility in pharmaceutical and agrochemical research, where such scaffolds are often employed for their bioactivity. The bromomethyl group enhances reactivity, enabling efficient derivatization for the construction of complex molecules. Its stability under controlled conditions ensures reliable handling in synthetic applications. This compound is suited for use in medicinal chemistry and material science, where precise functional group manipulation is required.
3-(Bromomethyl)-5-ethyl-1,2-oxazole structure
1378827-36-1 structure
Product Name:3-(Bromomethyl)-5-ethyl-1,2-oxazole
CAS No:1378827-36-1
MF:C6H8BrNO
MW:190.03782081604
CID:6427490
PubChem ID:129924242
Update Time:2025-08-03

3-(Bromomethyl)-5-ethyl-1,2-oxazole Chemical and Physical Properties

Names and Identifiers

    • 3-(bromomethyl)-5-ethyl-1,2-oxazole
    • 1378827-36-1
    • EN300-7615299
    • 3-(Bromomethyl)-5-ethyl-1,2-oxazole
    • Inchi: 1S/C6H8BrNO/c1-2-6-3-5(4-7)8-9-6/h3H,2,4H2,1H3
    • InChI Key: QNRSBDQXKHUBQM-UHFFFAOYSA-N
    • SMILES: BrCC1C=C(CC)ON=1

Computed Properties

  • Exact Mass: 188.97893g/mol
  • Monoisotopic Mass: 188.97893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 89.1
  • 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: 1.8
  • Topological Polar Surface Area: 26?2

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Additional information on 3-(Bromomethyl)-5-ethyl-1,2-oxazole

Comprehensive Overview of 3-(Bromomethyl)-5-ethyl-1,2-oxazole (CAS No. 1378827-36-1)

3-(Bromomethyl)-5-ethyl-1,2-oxazole (CAS No. 1378827-36-1) is a versatile heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This brominated oxazole derivative is characterized by its unique molecular structure, which combines a reactive bromomethyl group with an ethyl-substituted oxazole ring. Such structural features make it a valuable intermediate in the synthesis of more complex molecules, particularly in the development of novel bioactive compounds.

The growing interest in 3-(Bromomethyl)-5-ethyl-1,2-oxazole is closely tied to the broader demand for heterocyclic building blocks in drug discovery. Researchers are increasingly exploring its potential in medicinal chemistry, where it serves as a key precursor for the design of small-molecule inhibitors and targeted therapies. Its oxazole core is particularly noteworthy, as this motif is frequently found in compounds with antimicrobial, anti-inflammatory, and anticancer properties.

From a synthetic chemistry perspective, the bromomethyl functional group in CAS No. 1378827-36-1 offers excellent reactivity for further modifications. This allows chemists to employ it in cross-coupling reactions, nucleophilic substitutions, and other transformative processes. Recent studies highlight its utility in palladium-catalyzed reactions, which are pivotal for constructing carbon-carbon bonds in advanced pharmaceutical intermediates.

In the context of green chemistry trends, researchers are also investigating sustainable methods to synthesize and functionalize 3-(Bromomethyl)-5-ethyl-1,2-oxazole. Questions like "How to improve the atom economy of bromomethyl-oxazole derivatives?" or "What are the eco-friendly alternatives for bromomethylation?" reflect the evolving priorities in chemical synthesis. These inquiries align with the industry's shift toward minimizing hazardous byproducts and optimizing reaction efficiency.

The compound's relevance extends to material science applications, where its incorporation into functional polymers and organic electronic materials is being explored. Its ability to act as a photoactive moiety or a ligand precursor makes it a candidate for developing next-generation optoelectronic devices. This interdisciplinary potential has spurred collaborations between chemists and engineers, further driving innovation.

Analytical characterization of 3-(Bromomethyl)-5-ethyl-1,2-oxazole typically involves advanced techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography. These methods confirm its structural integrity and purity—critical factors for reproducibility in research. The compound's stability under various conditions is another area of investigation, addressing common queries like "How to store bromomethyl-oxazole derivatives properly?" among laboratory professionals.

As the scientific community continues to explore CAS No. 1378827-36-1, its role in high-throughput screening libraries and combinatorial chemistry is becoming increasingly prominent. The demand for structurally diverse compounds in drug development ensures that this bromomethyl-oxazole derivative remains a focal point for innovation. Future research directions may include its application in bioconjugation techniques or as a scaffold for multifunctional therapeutics.

In summary, 3-(Bromomethyl)-5-ethyl-1,2-oxazole represents a compelling case study in modern chemical research. Its multifaceted applications—from pharmaceutical intermediates to advanced materials—highlight the enduring importance of heterocyclic chemistry. As synthetic methodologies advance and interdisciplinary applications expand, this compound is poised to play an even greater role in addressing contemporary scientific challenges.

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