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CAS 1072952-52-3

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1-Ethyl 3-borono-2-fluorobenzoate

Description:
1-Ethyl 3-borono-2-fluorobenzoate is an organoboron compound characterized by the presence of a boron atom bonded to a benzene ring that also contains a fluorine substituent and an ethyl group. This compound typically exhibits a white to off-white solid form and is soluble in organic solvents, making it useful in various chemical reactions, particularly in Suzuki coupling reactions, which are essential for forming carbon-carbon bonds. The presence of the boron functional group allows for reactivity in nucleophilic substitution and cross-coupling processes, while the fluorine atom can influence the electronic properties of the molecule, potentially enhancing its reactivity. Additionally, the ethyl group contributes to the hydrophobic character of the compound, which can affect its solubility and interaction with other molecules. Overall, 1-Ethyl 3-borono-2-fluorobenzoate serves as a valuable intermediate in organic synthesis and materials science, particularly in the development of pharmaceuticals and agrochemicals.
Formula:C9H10BFO4
InChI:InChI=1S/C9H10BFO4/c1-2-15-9(12)6-4-3-5-7(8(6)11)10(13)14/h3-5,13-14H,2H2,1H3
InChI key:InChIKey=KFBWIVWAJRBVCJ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(F)C(B(O)O)=CC=C1
Synonyms:
  • Benzoic acid, 3-borono-2-fluoro-, 1-ethyl ester
  • 1-Ethyl 3-borono-2-fluorobenzoate
  • (3-Ethoxycarbonyl-2-fluorophenyl)boronic acid
  • (3-(Ethoxycarbonyl)-2-fluorophenyl)boronicacid
  • 2-Fluoro-3-(ethoxycarbonyl)phenylboronic acid
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