CAS 83467-35-0

4-(2-Bromoethyl)-3,5-dimethylisoxazole

Description:

4-(2-Bromoethyl)-3,5-dimethylisoxazole is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen atoms. The presence of the bromoethyl group introduces a halogen, which can influence the compound's reactivity and potential applications in organic synthesis. The dimethyl substitutions at the 3 and 5 positions of the isoxazole ring contribute to its steric and electronic properties, potentially affecting its interactions with biological targets or its behavior in chemical reactions. This compound may exhibit properties typical of isoxazoles, such as being a potential ligand in coordination chemistry or serving as a precursor in the synthesis of more complex molecules. Additionally, the bromine atom can facilitate nucleophilic substitution reactions, making it a useful intermediate in various synthetic pathways. Overall, the unique combination of functional groups in 4-(2-Bromoethyl)-3,5-dimethylisoxazole suggests it may have applications in medicinal chemistry or materials science, although specific biological activities would require further investigation.

Formula: C₇H₁₀BrNO

InChI: InChI=1S/C7H10BrNO/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3

InChI key: InChIKey=JWPUEMZGYPSUBM-UHFFFAOYSA-N

SMILES: C(CBr)C=1C(C)=NOC1C

Synonyms:

• 4-(2-Bromoethyl)-3,5-dimethylisoxazole
• 3,5-Dimethyl-4-(2-bromoethyl)isoxazole
• Isoxazole, 4-(2-bromoethyl)-3,5-dimethyl-