CAS 951885-66-8
:Ethyl 3-cyano-η-oxobenzeneoctanoate
Description:
Ethyl 3-cyano-η-oxobenzeneoctanoate, identified by its CAS number 951885-66-8, is a chemical compound that features a complex structure combining an ethyl ester with a cyano group and a phenolic component. This compound typically exhibits characteristics common to esters, such as being a colorless to pale yellow liquid with a pleasant odor. It is likely to be soluble in organic solvents while having limited solubility in water due to its hydrophobic octanoate chain. The presence of the cyano group introduces potential reactivity, making it useful in various synthetic applications, particularly in organic synthesis and medicinal chemistry. Additionally, the compound may exhibit biological activity, which can be explored for pharmaceutical applications. Safety data should be consulted for handling and storage, as with any chemical, to ensure proper precautions are taken. Overall, Ethyl 3-cyano-η-oxobenzeneoctanoate represents a versatile compound with potential utility in both industrial and research settings.
Formula:C17H21NO3
InChI:InChI=1S/C17H21NO3/c1-2-21-17(20)11-6-4-3-5-10-16(19)15-9-7-8-14(12-15)13-18/h7-9,12H,2-6,10-11H2,1H3
InChI key:InChIKey=OSGYMPWFPQEZMH-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=CC(C#N)=CC=C1
Synonyms:- Ethyl 3-cyano-η-oxobenzeneoctanoate
- Benzeneoctanoic acid, 3-cyano-η-oxo-, ethyl ester
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