CAS 76017-87-3

1H-Indole-2-acetonitrile,a-methyl-

Description:

1H-Indole-2-acetonitrile, α-methyl- (CAS 76017-87-3) is a chemical compound characterized by its indole structure, which consists of a fused benzene and pyrrole ring. This compound features a nitrile group (-C≡N) attached to the 2-position of the indole ring and an α-methyl group, indicating a methyl substituent on the carbon adjacent to the nitrile. The presence of the nitrile group contributes to its potential reactivity and applications in organic synthesis. 1H-Indole-2-acetonitrile, α-methyl- is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its indole framework is significant in medicinal chemistry, as indole derivatives are known for various biological activities, including antimicrobial and anticancer properties. The compound's unique structure allows for potential modifications, making it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₁H₁₀N₂

InChI: InChI=1S/C11H10N2/c1-8(7-12)11-6-9-4-2-3-5-10(9)13-11/h2-6,8,13H,1H3

InChI key: UGPRHWJHDKGZJI-UHFFFAOYSA-N

SMILES: CC(C#N)C1=CC2=CC=CC=C2N1

2-(1H-Indol-2-yl)propanenitrile

CAS: 76017-87-3

Formula: C₁₁H₁₀N₂

Color and Shape: Solid

Molecular weight: 170.2105

Ref: IN-DA005SEJ

2-(1-Cyanoethyl)indole

Controlled Product

CAS: 76017-87-3

Applications A useful intermediate for the synthesis of pharmaceutical actives, intermediates and fine chemicals.
References Pezzuto, J.M., et al.: Biochem., 20, 298 (1981), Takeda, K., et al.: Chem. Pharm. Bull., 29, 1280 (1981),

Formula: C₁₁H₁₀N₂

Color and Shape: Neat

Molecular weight: 170.21

Ref: TR-C980450

2-(1-Cyanoethyl)indole-13C215N

Controlled Product

CAS: 76017-87-3

Applications 2-(1-Cyanoethyl)indole-13C215N is an isotope labelled intermediate for the synthesis of pharmaceutical actives, intermediates and fine chemicals.
References Pezzuto, J.M., et al.: Biochem., 20, 298 (1981), Takeda, K., et al.: Chem. Pharm. Bull., 29, 1280 (1981),

Formula: C₂C₉H₁₀₁₅NN

Color and Shape: Neat

Molecular weight: 173.189

Ref: TR-C980452