CAS 898756-44-0

3-(1,3-Dioxan-2-yl)-1-(9-phenanthrenyl)-1-propanone

Description:

3-(1,3-Dioxan-2-yl)-1-(9-phenanthrenyl)-1-propanone, identified by its CAS number 898756-44-0, is an organic compound characterized by its unique structural features. It contains a dioxane ring, which contributes to its stability and solubility properties, and a phenanthrene moiety, providing significant aromatic character and potential for π-π interactions. This compound is likely to exhibit moderate to high lipophilicity due to the presence of the phenanthrene group, which can influence its behavior in biological systems and its interactions with other molecules. The ketone functional group (propanone) suggests that it may participate in various chemical reactions, such as nucleophilic additions or reductions. Additionally, the presence of the dioxane ring may impart some degree of polarity, affecting its solubility in different solvents. Overall, this compound's unique structure may make it of interest in fields such as organic synthesis, materials science, or medicinal chemistry, particularly in the development of novel compounds with specific electronic or photophysical properties.

Formula: C₂₁H₂₀O₃

InChI: InChI=1S/C21H20O3/c22-20(10-11-21-23-12-5-13-24-21)19-14-15-6-1-2-7-16(15)17-8-3-4-9-18(17)19/h1-4,6-9,14,21H,5,10-13H2

InChI key: InChIKey=YQOFECLBAMKMOH-UHFFFAOYSA-N

SMILES: C(CCC1OCCCO1)(=O)C2=C3C(=C4C(=C2)C=CC=C4)C=CC=C3

Synonyms:

• 3-(1,3-Dioxan-2-yl)-1-(9-phenanthrenyl)-1-propanone
• 1-Propanone, 3-(1,3-dioxan-2-yl)-1-(9-phenanthrenyl)-