CAS 1086391-93-6

Methyl 2-cyano-4,6-dimethylbenzoate

Description:

Methyl 2-cyano-4,6-dimethylbenzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. It features a cyano group (-CN) and two methyl groups (-CH3) on the aromatic ring, contributing to its unique chemical properties. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is soluble in organic solvents, such as ethanol and acetone, but has limited solubility in water due to its hydrophobic aromatic structure. Methyl 2-cyano-4,6-dimethylbenzoate is often used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals, agrochemicals, or other fine chemicals. Its reactivity is influenced by the presence of the cyano group, which can participate in various chemical reactions, including nucleophilic additions and substitutions. Safety data should be consulted for handling and storage, as with many organic compounds, it may pose health risks if not managed properly.

Formula: C₁₁H₁₁NO₂

InChI: InChI=1S/C11H11NO2/c1-7-4-8(2)10(11(13)14-3)9(5-7)6-12/h4-5H,1-3H3

InChI key: InChIKey=WHSYMBTZTOLOES-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(C#N)C=C(C)C=C1C

Synonyms:

• Benzoic acid, 2-cyano-4,6-dimethyl-, methyl ester
• Methyl 2-cyano-4,6-dimethylbenzoate