3-Methyl-5-(3-nitrophenyl)cyclohex-2-enone

• CAT Number: C001017
• CAS Number: 10323-98-5
• Molecular Formula: C₁₃H₁₃NO₃
• Molecular Weight: 231.25
• Purity: ≥95%
• Synonyms: 3-Methyl-5-(3-nitrophenyl)-2-cyclohexen-1-one; 3-Methyl-5-(m-nitrophenyl)-2-cyclohexen-1-one
• Solubility: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• Appearance: Pale Yellow to Light Yellow Solid
• Storage: 4°C, Inert atmosphere
• IUPAC Name: 3-methyl-5-(3-nitrophenyl)cyclohex-2-en-1-one
• InChI: InChI=1S/C13H13NO3/c1-9-5-11(8-13(15)6-9)10-3-2-4-12(7-10)14(16)17/h2-4,6-7,11H,5,8H2,1H3
• InChIKey: QDTJDAROMOFSLU-UHFFFAOYSA-N
• SMILES: CC1=CC(=O)CC(C1)C2=CC(=CC=C2)[N+](=O)[O-]

3-Methyl-5-(3-nitrophenyl)cyclohex-2-enone（Cat No.:C001017）, is a synthetic organic compound used in chemical synthesis and research. It is a yellow to orange crystalline solid with a specific aromatic aroma. The compound contains a cyclohexenone ring substituted with a methyl group and a 3-nitrophenyl group. It serves as an important intermediate in the production of various pharmaceuticals and specialty chemicals.

Reference

Neubert, L., et al.: J. Am. Chem. Soc., 134, 12239 (2012); Zhai, J.J., et al.: J. Am. Soc. Mass. Spec., 20, 1366 (2009);