CAS 832739-46-5

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluoro-1,3-butanedione

Description:

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluoro-1,3-butanedione, identified by its CAS number 832739-46-5, is a synthetic organic compound characterized by its unique molecular structure that includes a benzodioxin moiety and a trifluorinated diketone. This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl groups, which can influence its solubility and reactivity. The benzodioxin structure contributes to its potential biological activity, making it of interest in medicinal chemistry and drug development. The trifluorinated diketone functional group may impart specific chemical reactivity, allowing for various synthetic applications. Additionally, the compound's stability and reactivity can be affected by environmental factors such as pH and temperature. Overall, this substance may serve as a valuable intermediate in the synthesis of more complex molecules or as a potential candidate for pharmacological studies, although specific biological activities would require further investigation.

Formula: C₁₂H₉F₃O₄

InChI: InChI=1S/C12H9F3O4/c13-12(14,15)11(17)6-8(16)7-1-2-9-10(5-7)19-4-3-18-9/h1-2,5H,3-4,6H2

InChI key: InChIKey=YWFUGTJMFNLIOR-UHFFFAOYSA-N

SMILES: C(CC(C(F)(F)F)=O)(=O)C=1C=C2C(=CC1)OCCO2

Synonyms:

• 1,3-Butanedione, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluoro-
• 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4,4,4-trifluorobutane-1,3-dione
• 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluoro-1,3-butanedione