CAS 134611-50-0

5-Acetyl-2,3-dimethoxybenzonitrile

Description:

5-Acetyl-2,3-dimethoxybenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both an acetyl group and a nitrile group, along with two methoxy groups. The presence of the acetyl group contributes to its reactivity, particularly in electrophilic aromatic substitution reactions. The methoxy groups enhance the electron density of the benzene ring, influencing its chemical behavior and solubility. This compound is typically a solid at room temperature and may exhibit moderate to low solubility in water, while being more soluble in organic solvents due to its hydrophobic aromatic character. Its nitrile functional group can participate in various chemical reactions, including nucleophilic additions and cycloadditions. The compound may also exhibit interesting biological activities, making it of interest in medicinal chemistry. Safety data should be consulted for handling, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₁H₁₁NO₃

InChI: InChI=1S/C11H11NO3/c1-7(13)8-4-9(6-12)11(15-3)10(5-8)14-2/h4-5H,1-3H3

InChI key: InChIKey=KYMXIFPGMCNFSS-UHFFFAOYSA-N

SMILES: O(C)C1=C(C#N)C=C(C(C)=O)C=C1OC

Synonyms:

• 5-Acetyl-2,3-dimethoxybenzonitrile
• Benzonitrile, 5-acetyl-2,3-dimethoxy-