CAS 890097-91-3
:Ethyl 6-cyano-2-oxohexanoate
Description:
Ethyl 6-cyano-2-oxohexanoate is an organic compound characterized by its ester functional group and a cyano group attached to a hexanoate backbone. It typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The compound features a carbonyl group (C=O) adjacent to the cyano group (C≡N), which contributes to its reactivity and potential applications in organic synthesis. Ethyl 6-cyano-2-oxohexanoate is often utilized as an intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its ability to undergo nucleophilic reactions. Its molecular structure allows for the formation of diverse derivatives, making it a valuable building block in synthetic chemistry. Additionally, it may exhibit moderate solubility in organic solvents, while its stability can be influenced by factors such as temperature and pH. As with many chemical substances, proper handling and safety precautions are essential to mitigate any potential hazards associated with its use.
Formula:C9H13NO3
InChI:InChI=1S/C9H13NO3/c1-2-13-9(12)8(11)6-4-3-5-7-10/h2-6H2,1H3
InChI key:InChIKey=LYBLESJBIBDORV-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(CCCCC#N)=O
Synonyms:- Ethyl 6-cyano-2-oxohexanoate
- Hexanoic acid, 6-cyano-2-oxo-, ethyl ester
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