CAS 202584-15-4

1,6-Dimethyl-1H-indole-3-acetonitrile

Description:

1,6-Dimethyl-1H-indole-3-acetonitrile is an organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This particular compound features two methyl groups at the 1 and 6 positions of the indole ring, contributing to its unique chemical properties. The presence of the acetonitrile functional group at the 3 position introduces a nitrile (-C≡N) group, which is known for its reactivity and ability to participate in various chemical reactions, including nucleophilic additions and substitutions. The compound is typically a solid or liquid at room temperature, depending on its purity and specific conditions. It may exhibit moderate solubility in polar organic solvents due to the presence of the nitrile group. 1,6-Dimethyl-1H-indole-3-acetonitrile is of interest in various fields, including medicinal chemistry and materials science, due to its potential biological activities and applications in synthesizing other complex molecules.

Formula: C₁₂H₁₂N₂

InChI: InChI=1S/C12H12N2/c1-9-3-4-11-10(5-6-13)8-14(2)12(11)7-9/h3-4,7-8H,5H2,1-2H3

InChI key: InChIKey=CSJNAAWEEITFLB-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=2C(N(C)C1)=CC(C)=CC2

Synonyms:

• 2-(1,6-Dimethyl-1H-indol-3-yl)acetonitrile
• 1,6-Dimethyl-1H-indole-3-acetonitrile
• 1H-Indole-3-acetonitrile, 1,6-dimethyl-

2-(1,6-Dimethyl-1H-indol-3-yl)acetonitrile

Controlled Product

CAS: 202584-15-4

Versatile small molecule scaffold

Formula: C₁₂H₁₂N₂

Purity: Min. 95%

Molecular weight: 184.24 g/mol

Ref: 3D-CIA58415