CAS 1355334-93-8

5-(3-Bromophenyl)-3-methyl-4-isoxazolecarboxylic acid

Description:

5-(3-Bromophenyl)-3-methyl-4-isoxazolecarboxylic acid is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a bromophenyl group, indicating the presence of a bromine atom attached to a phenyl ring, which contributes to its unique reactivity and potential biological activity. The methyl group at the 3-position of the isoxazole enhances its lipophilicity, potentially influencing its interaction with biological targets. The carboxylic acid functional group at the 4-position is significant for solubility and reactivity, allowing for potential hydrogen bonding and participation in acid-base reactions. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in areas targeting specific biological pathways. Overall, the combination of the isoxazole framework with the bromophenyl and carboxylic acid functionalities provides a versatile platform for further chemical modifications and investigations.

Formula: C₁₁H₈BrNO₃

InChI: InChI=1S/C11H8BrNO3/c1-6-9(11(14)15)10(16-13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)

InChI key: InChIKey=WUHOSJYEEURJJS-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(ON=C1C)C2=CC(Br)=CC=C2

Synonyms:

• 5-(3-Bromophenyl)-3-methyl-4-isoxazolecarboxylic acid
• 4-Isoxazolecarboxylic acid, 5-(3-bromophenyl)-3-methyl-

5-(3-Bromophenyl)-3-methylisoxazole-4-carboxylic acid

CAS: 1355334-93-8

Formula: C₁₁H₈BrNO₃

Purity: 95.0%

Molecular weight: 282.093

Ref: 10-F317569