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CAS 1315476-07-3

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1-Methyl 3-borono-2-fluorobenzoate

Description:
1-Methyl 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 atom and a methyl ester functional group. This compound typically exhibits a white to off-white solid appearance and is soluble in organic solvents such as dichloromethane and ethanol. The boron atom in this structure is crucial for its reactivity, particularly in cross-coupling reactions, making it valuable in synthetic organic chemistry. The fluorine atom contributes to the compound's electronic properties, potentially enhancing its reactivity and stability. Additionally, the methyl ester group can undergo hydrolysis, making the compound versatile in various chemical transformations. Its unique combination of functional groups allows for applications in medicinal chemistry and materials science, particularly in the development of pharmaceuticals and agrochemicals. As with many organoboron compounds, handling should be done with care, considering potential reactivity and toxicity.
Formula:C8H8BFO4
InChI:InChI=1S/C8H8BFO4/c1-14-8(11)5-3-2-4-6(7(5)10)9(12)13/h2-4,12-13H,1H3
InChI key:InChIKey=ZWNQFICBQZRXEB-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(F)C(B(O)O)=CC=C1
Synonyms:
  • Benzoic acid, 3-borono-2-fluoro-, 1-methyl ester
  • 1-Methyl 3-borono-2-fluorobenzoate
  • 2-Fluoro-3-(methoxycarbonyl)phenylboronic acid
  • [2-Fluoro-3-(methoxycarbonyl)phenyl]boronic acid
  • (2-Fluoro-3-(methoxycarbonyl)phenyl)boronic acid
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