CAS 84714-19-2

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

Description:

Methyl α-cyano-α-ethyl-1-cyclohexene-1-acetate, identified by its CAS number 84714-19-2, is an organic compound characterized by its unique structure that includes a cyclohexene ring, a cyano group, and an acetate moiety. This compound typically exhibits a colorless to pale yellow liquid form and has 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 due to the presence of the double bond and cyano group. The presence of the acetate group also suggests potential for esterification reactions. Methyl α-cyano-α-ethyl-1-cyclohexene-1-acetate may have applications in the synthesis of pharmaceuticals, agrochemicals, or as an intermediate in organic chemistry. Safety data indicates that, like many organic compounds, it should be handled with care, using appropriate personal protective equipment to avoid inhalation or skin contact.

Formula: C₁₂H₁₇NO₂

InChI: InChI=1S/C12H17NO2/c1-3-12(9-13,11(14)15-2)10-7-5-4-6-8-10/h7H,3-6,8H2,1-2H3

InChI key: InChIKey=KGBFLLOSBDSYPN-UHFFFAOYSA-N

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

Synonyms:

• 1-Cyclohexene-1-acetic acid, α-cyano-α-ethyl-, methyl ester
• Methyl α-cyano-α-ethyl-1-cyclohexene-1-acetate