CAS 1199773-62-0

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

Description:

3-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety and a 3-isoxazolyl group substituted with a bromomethyl group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as stability and potential reactivity due to the presence of the bromine atom, which can serve as a site for further chemical modifications. The isoxazole ring contributes to its potential biological activity, making it of interest in medicinal chemistry. The carboxylic acid functional group in the benzoic acid portion can participate in hydrogen bonding and influence solubility in polar solvents. Additionally, the presence of the bromomethyl group may enhance lipophilicity and affect the compound's interaction with biological targets. Overall, this compound's characteristics suggest potential applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation through experimental studies.

Formula: C₁₁H₈BrNO₃

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

InChI key: InChIKey=SAKVCESUUZGSLO-UHFFFAOYSA-N

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

Synonyms:

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