CAS 71172-92-4

ethyl 2-cyano-2-ethyl-3-methylpentanoate

Description:

Ethyl 2-cyano-2-ethyl-3-methylpentanoate is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a cyano group (-CN) attached to a branched alkane chain, contributing to its unique chemical properties. It typically appears as a colorless to pale yellow liquid with a fruity odor, indicative of its ester nature. The presence of the cyano group enhances its reactivity, making it useful in various synthetic applications, including organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Its molecular structure includes a five-carbon backbone with additional ethyl and methyl substituents, which can influence its solubility and boiling point. Ethyl 2-cyano-2-ethyl-3-methylpentanoate is generally stable under standard conditions but should be handled with care due to potential toxicity associated with the cyano group. Proper safety measures should be observed when working with this compound in laboratory settings.

Formula: C₁₁H₁₉NO₂

InChI: InChI=1/C11H19NO2/c1-5-9(4)11(6-2,8-12)10(13)14-7-3/h9H,5-7H2,1-4H3

SMILES: CCC(C)C(CC)(C#N)C(=O)OCC

Synonyms:

• Valeric acid, 2-cyano-2-ethyl-3-methyl-, ethyl ester
• Ethyl 2-cyano-2-ethyl-3-methylpentanoate