CAS 126147-87-3

Methyl 2,1,3-benzoxadiazole-5-carboxylate

Description:

Methyl 2,1,3-benzoxadiazole-5-carboxylate is an organic compound characterized by its benzoxadiazole core, which features a fused benzene and diazole ring structure. This compound typically exhibits a pale yellow to light brown solid appearance and is known for its potential applications in various fields, including pharmaceuticals and materials science. It possesses functional groups that contribute to its reactivity, particularly the carboxylate ester, which can participate in nucleophilic substitution reactions. The presence of the benzoxadiazole moiety often imparts interesting photophysical properties, making it a candidate for use in fluorescence and as a dye. Additionally, this compound may exhibit biological activity, which is of interest in medicinal chemistry. Its solubility characteristics can vary depending on the solvent, and it is generally stable under standard laboratory conditions. Safety data should be consulted for handling and storage, as with any chemical substance. Overall, Methyl 2,1,3-benzoxadiazole-5-carboxylate is a versatile compound with significant potential in research and industrial applications.

Formula: C₈H₆N₂O₃

InChI: InChI=1S/C8H6N2O3/c1-12-8(11)5-2-3-6-7(4-5)10-13-9-6/h2-4H,1H3

InChI key: InChIKey=FGMQDQDIEOCBPY-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC=2C(C=C1)=NON2

Synonyms:

• Methyl 2,1,3-benzoxadiazole-5-carboxylate
• 5-Benzofurazancarboxylic acid, methyl ester
• 2,1,3-Benzoxadiazole-5-carboxylic acid, methyl ester
• RARECHEM AL BF 1194
• methyl [1,2,5]oxadiazolo[3,4-b]pyridine-6-carboxylate
• Methyl benzo[c][1,2,5]oxadiazole-5-carboxylate