CAS 1217862-42-4

3-[(2-Methyl-5-nitrophenyl)amino]-2-cyclohexen-1-one

Description:

3-[(2-Methyl-5-nitrophenyl)amino]-2-cyclohexen-1-one, identified by its CAS number 1217862-42-4, is an organic compound characterized by its unique structural features. It contains a cyclohexenone core, which contributes to its reactivity and potential applications in organic synthesis. The presence of a 2-methyl-5-nitrophenyl group indicates that the compound has both electron-donating and electron-withdrawing substituents, which can influence its electronic properties and reactivity. This compound may exhibit interesting biological activities due to the nitro group, which is often associated with pharmacological effects. Additionally, the amino group can participate in various chemical reactions, making it a versatile intermediate in synthetic chemistry. The compound's solubility, stability, and reactivity can vary depending on the solvent and conditions used, which is crucial for its application in research and industry. Overall, this compound represents a valuable structure for further exploration in medicinal chemistry and materials science.

Formula: C₁₃H₁₄N₂O₃

InChI: InChI=1S/C13H14N2O3/c1-9-5-6-11(15(17)18)8-13(9)14-10-3-2-4-12(16)7-10/h5-8,14H,2-4H2,1H3

InChI key: InChIKey=SGRXVUBUSDQRPA-UHFFFAOYSA-N

SMILES: N(C1=CC(N(=O)=O)=CC=C1C)C2=CC(=O)CCC2

Synonyms:

• 2-Cyclohexen-1-one, 3-[(2-methyl-5-nitrophenyl)amino]-
• 3-[(2-Methyl-5-nitrophenyl)amino]-2-cyclohexen-1-one