CAS 88007-99-2

2-Methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-naphthalenedione

Description:

2-Methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-naphthalenedione, commonly referred to as a derivative of naphthoquinone, exhibits several notable characteristics. This compound features a naphthalene backbone, which contributes to its aromatic properties and potential for π-π stacking interactions. The presence of the 4-nitrophenyl group introduces electron-withdrawing characteristics, enhancing the compound's reactivity and solubility in polar solvents. The ketone functional groups in the structure suggest potential for redox activity, making it a candidate for applications in organic synthesis and as a dye or pigment. Additionally, the methyl group at the 2-position can influence the compound's steric and electronic properties, affecting its overall stability and reactivity. The compound's molecular structure may also allow for interactions with biological systems, indicating potential pharmacological applications. Overall, 2-Methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-naphthalenedione is characterized by its complex structure, reactivity, and potential utility in various chemical and biological contexts.

Formula: C₁₉H₁₃NO₅

InChI: InChI=1S/C19H13NO5/c1-11-16(19(23)15-5-3-2-4-14(15)18(11)22)10-17(21)12-6-8-13(9-7-12)20(24)25/h2-9H,10H2,1H3

InChI key: InChIKey=HOUITNAJHFPESJ-UHFFFAOYSA-N

SMILES: O=C1C=2C(C(=O)C(C)=C1CC(=O)C3=CC=C(N(=O)=O)C=C3)=CC=CC2

Synonyms:

• 2-Methyl-3-(4-nitrophenacyl)-1,4-naphthoquinone
• 2-Methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-naphthalenedione
• 1,4-Naphthalenedione, 2-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-