CAS 122631-41-8

1,2-Dimethyl-3-[(1E)-2-nitroethenyl]-1H-indole

Description:

1,2-Dimethyl-3-[(1E)-2-nitroethenyl]-1H-indole, with the CAS number 122631-41-8, is a chemical compound that belongs to the indole family, characterized by its bicyclic structure containing a fused benzene and pyrrole ring. This compound features two methyl groups at the 1 and 2 positions of the indole ring, which can influence its electronic properties and reactivity. The presence of a nitroethenyl group at the 3 position introduces additional reactivity, particularly in electrophilic substitution reactions. The nitro group is known for its electron-withdrawing properties, which can enhance the compound's potential as a synthetic intermediate or in medicinal chemistry applications. The compound may exhibit interesting biological activities due to its structural features, making it a subject of interest in research. Its solubility, stability, and reactivity can vary based on the solvent and conditions, which are important considerations for its practical applications in organic synthesis or pharmacology.

Formula: C₁₂H₁₂N₂O₂

InChI: InChI=1S/C12H12N2O2/c1-9-10(7-8-14(15)16)11-5-3-4-6-12(11)13(9)2/h3-8H,1-2H3/b8-7+

InChI key: InChIKey=XASGEICHPWXWJC-BQYQJAHWSA-N

SMILES: C(=C/N(=O)=O)\C=1C=2C(N(C)C1C)=CC=CC2

Synonyms:

• 1H-Indole, 1,2-dimethyl-3-[(1E)-2-nitroethenyl]-
• 1,2-Dimethyl-3-[(1E)-2-nitroethenyl]-1H-indole
• 1H-Indole, 1,2-dimethyl-3-(2-nitroethenyl)-, (E)-