CAS 951885-60-2
:Ethyl 3-cyano-ε-oxobenzenehexanoate
Description:
Ethyl 3-cyano-ε-oxobenzenehexanoate, identified by its CAS number 951885-60-2, is an organic compound characterized by its ester functional group and a cyano group. This compound features a benzene ring substituted with a cyano group and is linked to a hexanoate chain, which contributes to its hydrophobic properties. The presence of the cyano group imparts notable reactivity, making it a potential candidate for various chemical transformations, including nucleophilic additions and cycloadditions. Ethyl 3-cyano-ε-oxobenzenehexanoate may exhibit moderate solubility in organic solvents, while its polar cyano group enhances its interaction with polar solvents. The compound's structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Additionally, its unique combination of functional groups may allow for the exploration of its properties in materials science, such as in the formulation of polymers or coatings. As with many organic compounds, safety precautions should be observed when handling this substance, given the potential hazards associated with its chemical reactivity.
Formula:C15H17NO3
InChI:InChI=1S/C15H17NO3/c1-2-19-15(18)9-4-3-8-14(17)13-7-5-6-12(10-13)11-16/h5-7,10H,2-4,8-9H2,1H3
InChI key:InChIKey=YYHITCBZCDXKIH-UHFFFAOYSA-N
SMILES:C(CCCCC(OCC)=O)(=O)C1=CC(C#N)=CC=C1
Synonyms:- Ethyl 3-cyano-ε-oxobenzenehexanoate
- Benzenehexanoic acid, 3-cyano-ε-oxo-, ethyl ester
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