CAS 924861-80-3

5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid

Description:

5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid, with the CAS number 924861-80-3, is a chemical compound characterized by its unique structure that includes a tetrazole ring and a benzodioxole moiety. This compound typically exhibits properties associated with both acidic and heterocyclic compounds, making it of interest in various fields, including medicinal chemistry and materials science. The presence of the tetrazole ring contributes to its potential as a bioactive molecule, often enhancing solubility and stability. Additionally, the benzodioxole group may impart specific electronic and steric properties, influencing its reactivity and interactions with biological targets. The compound is likely to be soluble in polar solvents and may exhibit moderate to high thermal stability. Its potential applications could range from pharmaceuticals to agrochemicals, depending on its biological activity and interaction with other chemical entities. Further studies would be necessary to fully elucidate its properties and potential uses in various applications.

Formula: C₁₂H₁₂N₄O₄

InChI: InChI=1S/C12H12N4O4/c17-11(18)2-1-5-16-14-12(13-15-16)8-3-4-9-10(6-8)20-7-19-9/h3-4,6H,1-2,5,7H2,(H,17,18)

InChI key: InChIKey=MTMHIKNJKWOOTB-UHFFFAOYSA-N

SMILES: C(CCC(O)=O)N1N=C(C=2C=C3C(=CC2)OCO3)N=N1

Synonyms:

• 5-(1,3-Benzodioxol-5-yl)-2H-tetrazole-2-butanoic acid
• 2H-Tetrazole-2-butanoic acid, 5-(1,3-benzodioxol-5-yl)-