CAS 80632-53-7

Methyl α-cyano-1-cyclohexene-1-acetate

Description:

Methyl α-cyano-1-cyclohexene-1-acetate is an organic compound characterized by its unique structure, which includes a cyano group and an acetate moiety attached to a cyclohexene ring. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is known for its reactivity, particularly in organic synthesis, where it can participate in various chemical reactions such as nucleophilic additions and cycloadditions. The presence of the cyano group imparts polar characteristics, making it soluble in polar solvents while maintaining some degree of solubility in non-polar solvents due to the cyclohexene structure. Methyl α-cyano-1-cyclohexene-1-acetate is often utilized in the synthesis of pharmaceuticals and agrochemicals, highlighting its importance in the field of medicinal chemistry and material science. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested. Proper storage conditions are also essential to maintain its stability and prevent degradation.

Formula: C₁₀H₁₃NO₂

InChI: InChI=1S/C10H13NO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h5,9H,2-4,6H2,1H3

InChI key: InChIKey=PZHBBPQFEOOLQL-UHFFFAOYSA-N

SMILES: C(C(OC)=O)(C#N)C=1CCCCC1

Synonyms:

• Methyl α-cyano-1-cyclohexene-1-acetate
• Methyl alpha-cyano-1-cyclohexene-1-acetate
• methyl cyano(cyclohex-1-en-1-yl)acetate
• 1-Cyclohexene-1-acetic acid, α-cyano-, methyl ester