Benzo[d]isoxazole-3-carboxylic acid

CAS: 28691-47-6

Ref. 3D-FB46466

Product Information

• Name: Benzo[d]isoxazole-3-carboxylic acid
• Synonyms: 1,2-Benzisoxazole-3-Carboxylic Acid, 1,2-Benzoxazole-3-carboxylic acid, 3-Benzo[d]isoxazolecarboxylic acid, 3-Carboxy-1,2-benzisoxazole, Benzo[d]isoxazole-3-carboxylicacid

Description

Benzo[d]isoxazole-3-carboxylic acid is a functional molecule that belongs to the class of organic compounds known as pyrazoles. It has been shown to have an intramolecular hydrogen bond, which stabilizes the molecule and leads to its spontaneous formation. The compound has been demonstrated in simulations and kinetic experiments to react with picolinic acid. The reaction mechanism for this process is not yet fully understood, but it is thought that the benzo[d]isoxazole-3-carboxylic acid interacts with picolinic acid through a hydrogen bond interaction between its nitrogen atom and the carboxylate group of picolinic acid. This generates an intermediate that reacts with another molecule of benzo[d]isoxazole-3-carboxylic acid, forming a new product.

• Brand: Biosynth

Chemical properties

• Molecular weight: 163.13 g/mol
• Formula: C₈H₅NO₃
• Purity: Min. 95%
• InChI: InChI=1S/C8H5NO3/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)
• InChI key: InChIKey=VPYXATIIMHQAPR-UHFFFAOYSA-N
• SMILES: O=C(O)c1noc2ccccc12