4,7-Dimethyl-1H-indole-2,3-dione

CAS: 15540-90-6

Ref. 3D-FD120360

Información del producto

• Nombre: 4,7-Dimethyl-1H-indole-2,3-dione
• Sinónimos: 1H-indole-2,3-dione, 4,7-dimethyl-, 1H-indole-2,3-dione, 4,7-dimethyl-, 4,7-dimethyl-1H-indole-2,3-dione

Descripción

4,7-Dimethyl-1H-indole-2,3-dione is an organic compound with a molecular formula of C8H6N2O and a tautomeric form of 4,7-dimethyl-1H-indole. This compound has three carbonyl groups and is synthesised by the reaction of nitrobenzene with methoxybenzene in the presence of ammonium chloride. The conformational and tautomeric forms are due to the presence of two different amide bonds and two methoxy groups in the molecule. The pharmacophore for this molecule is shown in Figure 1.
Figure 1: Pharmacophore for 4,7-dimethyl-1H-indole
The resonance stabilisation is due to the delocalisation of charge over the benzene ring system.

• Marca: Biosynth

Propiedades químicas

• Peso molecular: 175.18 g/mol
• Fórmula: C₁₀H₉NO₂
• Pureza: Min. 95%
• InChI: InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
• Clave InChI: InChIKey=VYRDPBOVRAVNKT-UHFFFAOYSA-N
• SMILES: Cc1ccc(C)c2c1NC(=O)C2=O