CAS 477319-16-7

3-[(3,4-Dimethylphenyl)amino]-1-(3-nitrophenyl)-1-propanone

Description:

3-[(3,4-Dimethylphenyl)amino]-1-(3-nitrophenyl)-1-propanone, identified by its CAS number 477319-16-7, is an organic compound characterized by its complex molecular structure, which includes an amine group and a ketone functional group. This compound features a propanone backbone substituted with a 3-nitrophenyl group and a 3,4-dimethylphenyl group, contributing to its unique chemical properties. The presence of the nitro group typically imparts significant electron-withdrawing characteristics, influencing the compound's reactivity and potential applications in organic synthesis or as a pharmaceutical intermediate. The dimethylphenyl substituent may enhance lipophilicity, affecting solubility and biological activity. As with many organic compounds, its stability, reactivity, and potential applications can be influenced by environmental factors such as pH and temperature. Safety data should be consulted for handling and storage, as compounds with nitro groups can sometimes exhibit explosive properties under certain conditions. Overall, this compound's specific characteristics make it of interest in various fields, including medicinal chemistry and materials science.

Formula: C₁₇H₁₈N₂O₃

InChI: InChI=1S/C17H18N2O3/c1-12-6-7-15(10-13(12)2)18-9-8-17(20)14-4-3-5-16(11-14)19(21)22/h3-7,10-11,18H,8-9H2,1-2H3

InChI key: InChIKey=NXYUJFXMYHKXJZ-UHFFFAOYSA-N

SMILES: C(CCNC1=CC(C)=C(C)C=C1)(=O)C2=CC(N(=O)=O)=CC=C2

Synonyms:

• 1-Propanone, 3-[(3,4-dimethylphenyl)amino]-1-(3-nitrophenyl)-
• 3-[(3,4-Dimethylphenyl)amino]-1-(3-nitrophenyl)-1-propanone