CAS 1016843-21-2

3-Methoxy-4-methyl-β-oxobenzenepropanenitrile

Description:

3-Methoxy-4-methyl-β-oxobenzenepropanenitrile, identified by its CAS number 1016843-21-2, is an organic compound characterized by its complex structure, which includes a methoxy group, a methyl group, and a nitrile functional group. This compound features a benzene ring substituted with both a methoxy group and a methyl group, contributing to its aromatic properties. The β-oxoketone moiety indicates the presence of a carbonyl group adjacent to a nitrile, which can influence its reactivity and potential applications in organic synthesis. The presence of the nitrile group suggests that it may exhibit polar characteristics, making it soluble in polar solvents. Additionally, the compound may participate in various chemical reactions, including nucleophilic additions and condensation reactions, due to the electrophilic nature of the carbonyl and the reactivity of the nitrile. Overall, 3-Methoxy-4-methyl-β-oxobenzenepropanenitrile is of interest in medicinal chemistry and materials science, where its unique functional groups can be leveraged for the development of new pharmaceuticals or advanced materials.

Formula: C₁₁H₁₁NO₂

InChI: InChI=1S/C11H11NO2/c1-8-3-4-9(7-11(8)14-2)10(13)5-6-12/h3-4,7H,5H2,1-2H3

InChI key: InChIKey=BNWVAWRTVFIPRV-UHFFFAOYSA-N

SMILES: C(CC#N)(=O)C1=CC(OC)=C(C)C=C1

Synonyms:

• Benzenepropanenitrile, 3-methoxy-4-methyl-β-oxo-
• 3-Methoxy-4-methyl-β-oxobenzenepropanenitrile
• 3-(3-Methoxy-4-methylphenyl)-3-oxopropanenitrile