CAS 1204298-47-4

6-(Trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid

Description:

6-(Trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid is a chemical compound characterized by its unique structural features, which include a benzisoxazole ring system and a trifluoromethyl group. This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl group, which can influence its solubility and reactivity. The carboxylic acid functional group contributes to its acidity and potential for forming hydrogen bonds, making it a candidate for various chemical reactions, including esterification and amidation. The benzisoxazole moiety is known for its biological activity, often serving as a scaffold in medicinal chemistry. This compound may exhibit interesting pharmacological properties, making it of interest in drug discovery and development. Additionally, its stability under various conditions and potential for functionalization can be advantageous in synthetic applications. Overall, 6-(Trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid represents a versatile building block in organic synthesis and medicinal chemistry.

Formula: C₉H₄F₃NO₃

InChI: InChI=1S/C9H4F3NO3/c10-9(11,12)4-1-2-5-6(3-4)13-16-7(5)8(14)15/h1-3H,(H,14,15)

InChI key: InChIKey=WILVLFLFYQJSBL-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C2C(C=C(C(F)(F)F)C=C2)=NO1

Synonyms:

• 2,1-Benzisoxazole-3-carboxylic acid, 6-(trifluoromethyl)-
• 6-(Trifluoromethyl)-2,1-benzisoxazole-3-carboxylic acid