CAS 86483-52-5

Ethyl 2,4-dichloro-α-(ethoxymethylene)-5-fluoro-β-oxobenzenepropanoate

Description:

Ethyl 2,4-dichloro-α-(ethoxymethylene)-5-fluoro-β-oxobenzenepropanoate, with the CAS number 86483-52-5, is a synthetic organic compound characterized by its complex structure, which includes multiple functional groups. This compound features a benzene ring substituted with both chloro and fluoro groups, contributing to its reactivity and potential biological activity. The presence of an ethoxymethylene group enhances its chemical versatility, making it suitable for various synthetic applications. Typically, compounds of this nature may exhibit properties such as moderate to high lipophilicity, which can influence their solubility in organic solvents and biological systems. Additionally, the dichloro and fluoro substituents can impart unique electronic properties, potentially affecting the compound's interaction with biological targets. Ethyl esters like this one are often used in medicinal chemistry and agrochemical applications due to their ability to undergo hydrolysis, leading to the release of active components. Overall, the characteristics of this compound suggest it may have significant utility in research and development within the fields of pharmaceuticals and agrochemicals.

Formula: C₁₄H₁₃Cl₂FO₄

InChI: InChI=1S/C14H13Cl2FO4/c1-3-20-7-9(14(19)21-4-2)13(18)8-5-12(17)11(16)6-10(8)15/h5-7H,3-4H2,1-2H3

InChI key: InChIKey=LYOAKSDOTROZEF-UHFFFAOYSA-N

SMILES: C(C(C(OCC)=O)=COCC)(=O)C1=C(Cl)C=C(Cl)C(F)=C1

Synonyms:

• 2-(2,4-Dichloro-5-fluorobenzoyl)-3-ethoxyacrylic acid ethyl ester
• 2-(2,4-Dichloro-5-fluorobenzoyl)-3-ethoxyacrylicacid ethyl ester
• Ethyl 2,4-dichloro-α-(ethoxymethylene)-5-fluoro-β-oxobenzenepropanoate
• Benzenepropanoic acid, 2,4-dichloro-α-(ethoxymethylene)-5-fluoro-β-oxo-, ethyl ester