CAS 951885-72-6
:Ethyl 4-cyano-ζ-oxobenzeneheptanoate
Description:
Ethyl 4-cyano-ζ-oxobenzeneheptanoate, identified by its CAS number 951885-72-6, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a cyano group (-CN) and a ketone-like structure (indicated by the oxo group) within its molecular framework, contributing to its reactivity and potential applications in organic synthesis. The presence of the ethyl group suggests it is a relatively low molecular weight compound, which may influence its solubility and volatility. The benzene ring in its structure provides aromatic characteristics, potentially affecting its stability and interaction with other chemical species. Ethyl 4-cyano-ζ-oxobenzeneheptanoate may be of interest in various fields, including pharmaceuticals and materials science, due to its unique functional groups that can participate in further chemical reactions, such as nucleophilic additions or cycloadditions. However, specific safety and handling guidelines should be followed, as with any chemical substance.
Formula:C16H19NO3
InChI:InChI=1S/C16H19NO3/c1-2-20-16(19)7-5-3-4-6-15(18)14-10-8-13(12-17)9-11-14/h8-11H,2-7H2,1H3
InChI key:InChIKey=VNWJZTGDNAGYJU-UHFFFAOYSA-N
SMILES:C(CCCCCC(OCC)=O)(=O)C1=CC=C(C#N)C=C1
Synonyms:- Benzeneheptanoic acid, 4-cyano-ζ-oxo-, ethyl ester
- Ethyl 4-cyano-ζ-oxobenzeneheptanoate
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