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CAS 2121513-21-9

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Boronic acid, B-[3-bromo-5-[[(4-fluorophenyl)amino]carbonyl]phenyl]-

Description:
Boronic acids are a class of organic compounds characterized by the presence of a boron atom bonded to a hydroxyl group and an organic substituent. The specific compound "Boronic acid, B-[3-bromo-5-[[(4-fluorophenyl)amino]carbonyl]phenyl]-" features a boron atom attached to a phenyl ring that is further substituted with a bromo group and an amide functional group derived from a fluorinated phenyl amine. This structure suggests potential applications in medicinal chemistry, particularly in drug design and synthesis, due to the presence of the boron atom, which can participate in various chemical reactions, including Suzuki coupling. The fluorine atom may enhance the compound's biological activity or lipophilicity, while the bromo substituent can serve as a useful handle for further functionalization. Overall, this compound exemplifies the versatility of boronic acids in organic synthesis and their importance in developing pharmaceuticals and agrochemicals.
Formula:C13H10BBrFNO3
InChI:InChI=1S/C13H10BBrFNO3/c15-10-6-8(5-9(7-10)14(19)20)13(18)17-12-3-1-11(16)2-4-12/h1-7,19-20H,(H,17,18)
InChI key:InChIKey=SKAGFNBENCSPHU-UHFFFAOYSA-N
SMILES:C(NC1=CC=C(F)C=C1)(=O)C2=CC(B(O)O)=CC(Br)=C2
Synonyms:
  • Boronic acid, B-[3-bromo-5-[[(4-fluorophenyl)amino]carbonyl]phenyl]-
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