CAS 898750-34-0
:ethyl 3-[3-(3-chloro-5-fluoro-phenyl)propanoyl]benzoate
Description:
Ethyl 3-[3-(3-chloro-5-fluoro-phenyl)propanoyl]benzoate, identified by its CAS number 898750-34-0, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethyl alcohol. This compound features a complex structure that includes a benzoate moiety and a propanoyl group substituted with a chloro and a fluoro atom on the phenyl ring, contributing to its unique chemical properties. The presence of halogen atoms, specifically chlorine and fluorine, often enhances the compound's biological activity and lipophilicity, making it of interest in pharmaceutical research. Ethyl esters like this one are typically used in organic synthesis and may exhibit various reactivity patterns, including hydrolysis and transesterification. The compound's molecular structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific physical properties such as melting point, boiling point, and solubility would need to be determined experimentally or sourced from reliable databases for comprehensive characterization.
Formula:C18H16ClFO3
InChI:InChI=1/C18H16ClFO3/c1-2-23-18(22)14-5-3-4-13(10-14)17(21)7-6-12-8-15(19)11-16(20)9-12/h3-5,8-11H,2,6-7H2,1H3
SMILES:CCOC(=O)c1cccc(c1)C(=O)CCc1cc(cc(c1)F)Cl
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