CAS 1158735-34-2

4-[5-(Bromomethyl)-3-isoxazolyl]benzonitrile

Description:

4-[5-(Bromomethyl)-3-isoxazolyl]benzonitrile is an organic compound characterized by its unique structural features, which include a benzonitrile moiety and an isoxazole ring substituted with a bromomethyl group. The presence of the isoxazole ring contributes to its potential biological activity, as this heterocyclic structure is often associated with various pharmacological properties. The bromomethyl group enhances the compound's reactivity, making it a useful intermediate in organic synthesis and medicinal chemistry. The nitrile functional group (-C≡N) is known for its ability to participate in nucleophilic reactions, which can be exploited in further chemical transformations. This compound may exhibit specific solubility characteristics depending on the solvent used, and its stability can be influenced by environmental factors such as temperature and pH. Overall, 4-[5-(Bromomethyl)-3-isoxazolyl]benzonitrile is of interest in research contexts, particularly in the development of new materials or pharmaceuticals.

Formula: C₁₁H₇BrN₂O

InChI: InChI=1S/C11H7BrN2O/c12-6-10-5-11(14-15-10)9-3-1-8(7-13)2-4-9/h1-5H,6H2

InChI key: InChIKey=ZJQLSWNGRKEETF-UHFFFAOYSA-N

SMILES: C(Br)C1=CC(=NO1)C2=CC=C(C#N)C=C2

Synonyms:

• Benzonitrile, 4-[5-(bromomethyl)-3-isoxazolyl]-
• 4-[5-(Bromomethyl)-3-isoxazolyl]benzonitrile