CAS 54029-05-9
:Ethyl 4-chloro-ε-oxobenzenehexanoate
Description:
Ethyl 4-chloro-ε-oxobenzenehexanoate, identified by its CAS number 54029-05-9, 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 chloro-substituted aromatic ring, contributing to its unique chemical properties and reactivity. The presence of the ε-oxobenzene moiety indicates a ketone functional group adjacent to the aromatic system, which can influence its reactivity in various chemical reactions, such as nucleophilic substitutions or electrophilic aromatic substitutions. Ethyl 4-chloro-ε-oxobenzenehexanoate is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents and may exhibit moderate stability under standard conditions. The compound's structure suggests potential applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of other chemical entities. However, safety and handling precautions should be observed due to the presence of chlorine and potential reactivity associated with its functional groups.
Formula:C14H17ClO3
InChI:InChI=1S/C14H17ClO3/c1-2-18-14(17)6-4-3-5-13(16)11-7-9-12(15)10-8-11/h7-10H,2-6H2,1H3
InChI key:InChIKey=XWCLGNIBLITULM-UHFFFAOYSA-N
SMILES:C(CCCCC(OCC)=O)(=O)C1=CC=C(Cl)C=C1
Synonyms:- Benzenehexanoic acid, 4-chloro-ε-oxo-, ethyl ester
- Ethyl 4-chloro-ε-oxobenzenehexanoate
- Ethyl 5-(p-chlorobenzoyl)valerate
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