CAS 477334-12-6

1-(4-Methylphenyl)-3-[(4-phenoxyphenyl)amino]-1-propanone

Description:

1-(4-Methylphenyl)-3-[(4-phenoxyphenyl)amino]-1-propanone, identified by its CAS number 477334-12-6, is an organic compound characterized by its complex molecular structure, which includes a propanone backbone substituted with both a 4-methylphenyl group and a 4-phenoxyphenylamino group. This compound typically exhibits properties associated with ketones, such as being a solid or liquid at room temperature, depending on its specific formulation and purity. It may display moderate solubility in organic solvents, while its solubility in water is likely limited due to the hydrophobic nature of its aromatic substituents. The presence of multiple aromatic rings suggests potential for π-π stacking interactions, which could influence its physical properties and reactivity. Additionally, the compound may have applications in organic synthesis or as an intermediate in the production of pharmaceuticals or agrochemicals, given its structural features that can facilitate various chemical reactions. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₂₂H₂₁NO₂

InChI: InChI=1S/C22H21NO2/c1-17-7-9-18(10-8-17)22(24)15-16-23-19-11-13-21(14-12-19)25-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3

InChI key: InChIKey=PNEOGJGFYMZWQM-UHFFFAOYSA-N

SMILES: O(C1=CC=C(NCCC(=O)C2=CC=C(C)C=C2)C=C1)C3=CC=CC=C3

Synonyms:

• 1-Propanone, 1-(4-methylphenyl)-3-[(4-phenoxyphenyl)amino]-
• 1-(4-Methylphenyl)-3-[(4-phenoxyphenyl)amino]-1-propanone