CAS 898752-85-7

ethyl 4-oxo-4-(9-phenanthryl)butanoate

Description:

Ethyl 4-oxo-4-(9-phenanthryl)butanoate is an organic compound characterized by its ester functional group, specifically an ethyl ester. It features a butanoate backbone with a ketone group at the fourth carbon and a phenanthryl substituent, which contributes to its aromatic properties. The presence of the phenanthryl group enhances its potential for π-π stacking interactions, making it interesting for applications in organic electronics and materials science. This compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic aromatic structure, while the ester group may impart some polar characteristics. Its molecular structure suggests potential reactivity in various chemical transformations, including nucleophilic additions and condensation reactions. Additionally, the compound may possess interesting photophysical properties, making it a candidate for studies in photochemistry or as a dye. Safety and handling precautions should be observed, as with all chemical substances, particularly regarding its reactivity and potential toxicity.

Formula: C₂₀H₁₈O₃

InChI: InChI=1/C20H18O3/c1-2-23-20(22)12-11-19(21)18-13-14-7-3-4-8-15(14)16-9-5-6-10-17(16)18/h3-10,13H,2,11-12H2,1H3

InChI key: InChIKey=MIVIQXSWKWKKFL-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=C2C(=C3C(=C1)C=CC=C3)C=CC=C2

Synonyms:

• 9-Phenanthrenebutanoic acid, γ-oxo-, ethyl ester
• Ethyl γ-oxo-9-phenanthrenebutanoate
• ETHYL 4-OXO-4-(9-PHENANTHRYL)BUTYRATE