CAS 1298047-57-0

Methyl 2,2-difluoro-7-hydroxy-1,3-benzodioxole-5-carboxylate

Description:

Methyl 2,2-difluoro-7-hydroxy-1,3-benzodioxole-5-carboxylate is a synthetic organic compound characterized by its unique molecular structure, which includes a benzodioxole core, a carboxylate ester functional group, and two fluorine atoms attached to the carbon chain. This compound typically exhibits properties such as moderate solubility in organic solvents and potential reactivity due to the presence of the hydroxy and carboxylate groups. The difluoromethyl substituents can influence its chemical behavior, potentially enhancing its lipophilicity and altering its interaction with biological systems. Methyl 2,2-difluoro-7-hydroxy-1,3-benzodioxole-5-carboxylate may be of interest in medicinal chemistry and materials science, particularly for its potential applications in drug development or as a building block in organic synthesis. Its specific characteristics, including melting point, boiling point, and spectral data, would require empirical measurement or detailed literature references for precise values.

Formula: C₉H₆F₂O₅

InChI: InChI=1S/C9H6F2O5/c1-14-8(13)4-2-5(12)7-6(3-4)15-9(10,11)16-7/h2-3,12H,1H3

InChI key: InChIKey=ABTDJSPMIARRKU-UHFFFAOYSA-N

SMILES: OC1=C2C(=CC(C(OC)=O)=C1)OC(F)(F)O2

Synonyms:

• 1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-7-hydroxy-, methyl ester
• Methyl 2,2-difluoro-7-hydroxy-1,3-benzodioxole-5-carboxylate