CAS 951885-76-0
:Ethyl 4-cyano-η-oxobenzeneoctanoate
Description:
Ethyl 4-cyano-η-oxobenzeneoctanoate, identified by its CAS number 951885-76-0, is a chemical compound that features a complex structure combining an ethyl ester with a cyano group and a phenyl ring. 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 notable reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions. Additionally, the compound may possess biological activity, which could be explored for applications in pharmaceuticals or agrochemicals. Safety data would indicate that it should be handled with care, as with many organic compounds, due to potential toxicity or irritant properties. Overall, its unique structure suggests diverse applications in organic synthesis and material science.
Formula:C17H21NO3
InChI:InChI=1S/C17H21NO3/c1-2-21-17(20)8-6-4-3-5-7-16(19)15-11-9-14(13-18)10-12-15/h9-12H,2-8H2,1H3
InChI key:InChIKey=YWOXXIIYGFLHIF-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=CC=C(C#N)C=C1
Synonyms:- Benzeneoctanoic acid, 4-cyano-η-oxo-, ethyl ester
- Ethyl 4-cyano-η-oxobenzeneoctanoate
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