CAS 7146-80-7

Ethyl α-cyano-α-ethyl-1-cyclohexene-1-acetate

Description:

Ethyl α-cyano-α-ethyl-1-cyclohexene-1-acetate, with the CAS number 7146-80-7, is an organic compound characterized by its unique structure that includes a cyclohexene ring, a cyano group, and an acetate moiety. This compound typically appears as a colorless to pale yellow liquid and is known for its distinctive fruity odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water. Ethyl α-cyano-α-ethyl-1-cyclohexene-1-acetate is primarily utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the presence of the cyano and acetate functional groups, which can participate in nucleophilic addition reactions. Safety considerations include handling it in a well-ventilated area and using appropriate personal protective equipment, as it may pose health risks if inhaled or ingested. Overall, this compound is of interest in both industrial applications and research settings due to its versatile chemical properties.

Formula: C₁₃H₁₉NO₂

InChI: InChI=1S/C13H19NO2/c1-3-13(10-14,12(15)16-4-2)11-8-6-5-7-9-11/h8H,3-7,9H2,1-2H3

InChI key: InChIKey=FZEJSHBZNNNLCB-UHFFFAOYSA-N

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

Synonyms:

• 1-Cyclohexene-1-Acetic Acid, Alpha-Cyano-Alpha-Ethyl-, Ethyl Ester
• 1-Cyclohexene-1-acetic acid, α-cyano-α-ethyl-, ethyl ester
• Ethyl α-cyano-α-ethyl-1-cyclohexene-1-acetate
• NSC 60583