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CAS 874219-36-0

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1-Ethyl 5-borono-2-fluorobenzoate

Description:
1-Ethyl 5-borono-2-fluorobenzoate is an organic compound characterized by the presence of a boron atom, a fluorine atom, and an ethyl group attached to a benzoate structure. This compound features a boronic acid derivative, which is significant in various chemical reactions, particularly in Suzuki coupling reactions, where it serves as a key intermediate in the synthesis of biaryl compounds. The fluorine atom introduces unique electronic properties, enhancing the compound's reactivity and potential applications in medicinal chemistry and materials science. The ethyl group contributes to the hydrophobic character of the molecule, influencing its solubility and interaction with biological systems. Additionally, the benzoate moiety provides a stable aromatic framework, which can affect the compound's stability and reactivity. Overall, 1-Ethyl 5-borono-2-fluorobenzoate is a versatile compound with applications in organic synthesis and potential roles in drug development due to its functional groups and structural characteristics.
Formula:C9H10BFO4
InChI:InChI=1S/C9H10BFO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
InChI key:InChIKey=YCXMTPOFCTUKTB-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(B(O)O)=CC=C1F
Synonyms:
  • 1-Ethyl 5-borono-2-fluorobenzoate
  • 3-Ethoxycarbonyl-4-fluorophenylboronic acid
  • 3-Ethoxycarbonyl-4-fluorophenylboronicacid
  • Benzoic Acid, 5-Borono-2-Fluoro-, Ethyl Ester
  • Benzoic acid, 5-borono-2-fluoro-, 1-ethyl ester
  • [3-(Ethoxycarbonyl)-4-fluorophenyl]boronic acid
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