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CAS 850568-05-7

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1-Methyl 2-borono-4-fluorobenzoate

Description:
1-Methyl 2-borono-4-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 a methyl ester functional group. This compound typically exhibits a white to off-white crystalline appearance. The boron atom in the structure contributes to its reactivity, particularly in cross-coupling reactions, making it valuable in organic synthesis and medicinal chemistry. The fluorine atom enhances the compound's lipophilicity and can influence its biological activity. Additionally, the methyl ester group can undergo hydrolysis to yield the corresponding carboxylic acid, which may further participate in various chemical reactions. The compound's unique combination of functional groups allows for diverse applications, including in the development of pharmaceuticals and agrochemicals. As with many organoboron compounds, it may also serve as a building block in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as organoboron compounds can have specific hazards associated with them.
Formula:C8H8BFO4
InChI:InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3
InChI key:InChIKey=CHDCMVDJRAQCTJ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(B(O)O)C=C(F)C=C1
Synonyms:
  • 1-Methyl 2-borono-4-fluorobenzoate
  • 2-Methoxycarbonyl-5-fluorophenylboronic acid
  • 2-Methoxycarbonyl-5-fluorophenylboronicacid
  • 5-Fluoro-2-(methoxycarbonyl)benzeneboronic acid
  • 5-Fluoro-2-Methoxycarbonylphenylboronic Acid
  • Benzoic Acid, 2-Borono-4-Fluoro-, Methyl Ester
  • Benzoic acid, 2-borono-4-fluoro-, 1-methyl ester
  • Methyl 2-borono-4-fluorobenzoate
  • [5-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid
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