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CAS 1150114-31-0

:

1-Ethyl 5-(3-borono-2,4,6-trifluorophenoxy)pentanoate

Description:
1-Ethyl 5-(3-borono-2,4,6-trifluorophenoxy)pentanoate is a chemical compound characterized by its unique structure, which includes an ethyl group, a pentanoate moiety, and a boron-containing functional group attached to a trifluorophenoxy unit. This compound features a boronic acid derivative, which is significant in various chemical reactions, particularly in Suzuki coupling reactions, making it valuable in organic synthesis and medicinal chemistry. The presence of trifluoromethyl groups enhances its lipophilicity and may influence its biological activity. Additionally, the pentanoate structure contributes to its ester characteristics, which can affect solubility and reactivity. The compound's molecular interactions are influenced by the electron-withdrawing nature of the trifluoromethyl groups and the boron atom's ability to form coordination complexes. Overall, 1-Ethyl 5-(3-borono-2,4,6-trifluorophenoxy)pentanoate is a versatile compound with potential applications in drug development and materials science, owing to its distinctive chemical properties and functional groups.
Formula:C13H16BF3O5
InChI:InChI=1S/C13H16BF3O5/c1-2-21-10(18)5-3-4-6-22-13-9(16)7-8(15)11(12(13)17)14(19)20/h7,19-20H,2-6H2,1H3
InChI key:InChIKey=IZPKPMGAODMUFI-UHFFFAOYSA-N
SMILES:B(O)(O)C1=C(F)C(OCCCCC(OCC)=O)=C(F)C=C1F
Synonyms:
  • 1-Ethyl 5-(3-borono-2,4,6-trifluorophenoxy)pentanoate
  • Pentanoic acid, 5-(3-borono-2,4,6-trifluorophenoxy)-, 1-ethyl ester
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