CAS 122115-57-5
:Ethyl 3-fluoro-ζ-oxobenzeneheptanoate
Description:
Ethyl 3-fluoro-ζ-oxobenzeneheptanoate, with the CAS number 122115-57-5, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol (ethyl alcohol) and a carboxylic acid. This compound features a fluorine atom substituted at the 3-position of a benzene ring, contributing to its unique chemical properties, such as increased lipophilicity and potential reactivity in electrophilic aromatic substitution reactions. The presence of the heptanoate chain indicates that it has a relatively long aliphatic carbon chain, which can influence its solubility and volatility. The oxo group (carbonyl) in the structure suggests potential reactivity in nucleophilic addition reactions. Ethyl 3-fluoro-ζ-oxobenzeneheptanoate may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility in synthetic chemistry. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure of the compound.
Formula:C15H19FO3
InChI:InChI=1S/C15H19FO3/c1-2-19-15(18)10-5-3-4-9-14(17)12-7-6-8-13(16)11-12/h6-8,11H,2-5,9-10H2,1H3
InChI key:InChIKey=SDFVHHUVZLHMDI-UHFFFAOYSA-N
SMILES:C(CCCCCC(OCC)=O)(=O)C1=CC(F)=CC=C1
Synonyms:- Ethyl 3-fluoro-ζ-oxobenzeneheptanoate
- Benzeneheptanoic acid, 3-fluoro-ζ-oxo-, ethyl ester
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