CAS 1199773-70-0

4-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid

Description:

4-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid is an organic compound characterized by its unique structural features, which include a benzoic acid moiety and an isoxazole ring. The presence of the bromomethyl group enhances its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. This compound is typically used in medicinal chemistry and research applications due to its potential biological activity. The isoxazole ring contributes to its heterocyclic nature, which can influence its solubility and interaction with biological targets. Additionally, the carboxylic acid functional group in the benzoic acid part of the molecule can participate in hydrogen bonding, affecting its physical properties such as melting point and solubility in polar solvents. Overall, 4-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid is a versatile compound with applications in synthetic organic chemistry and pharmacological research, owing to its distinctive functional groups and structural characteristics.

Formula: C₁₁H₈BrNO₃

InChI: InChI=1S/C11H8BrNO3/c12-6-9-5-10(13-16-9)7-1-3-8(4-2-7)11(14)15/h1-5H,6H2,(H,14,15)

InChI key: InChIKey=YVSLGPKGGZJGER-UHFFFAOYSA-N

SMILES: C(Br)C1=CC(=NO1)C2=CC=C(C(O)=O)C=C2

Synonyms:

• Benzoic acid, 4-[5-(bromomethyl)-3-isoxazolyl]-
• 4-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid