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CAS 874219-26-8

:

B-[3-[[(1,1-Dimethylethyl)amino]carbonyl]-4-fluorophenyl]boronic acid

Description:
B-[3-[[(1,1-Dimethylethyl)amino]carbonyl]-4-fluorophenyl]boronic acid, with the CAS number 874219-26-8, is a boronic acid derivative characterized by its unique structural features. This compound contains a boron atom bonded to a phenyl group that is substituted with a fluorine atom and an amide functional group, which is further attached to a tert-butyl amino group. The presence of the boronic acid moiety allows for potential applications in medicinal chemistry, particularly in the development of inhibitors for certain enzymes, such as proteasomes or kinases, due to its ability to form reversible covalent bonds with diols. The fluorine substitution on the phenyl ring can enhance the compound's lipophilicity and metabolic stability. Additionally, the tert-butyl group contributes to steric hindrance, which may influence the compound's biological activity and selectivity. Overall, this compound exemplifies the versatility of boronic acids in drug design and their role in various chemical reactions, including Suzuki coupling.
Formula:C11H15BFNO3
InChI:InChI=1S/C11H15BFNO3/c1-11(2,3)14-10(15)8-6-7(12(16)17)4-5-9(8)13/h4-6,16-17H,1-3H3,(H,14,15)
InChI key:InChIKey=KHTWLZNHMILCQS-UHFFFAOYSA-N
SMILES:C(NC(C)(C)C)(=O)C1=CC(B(O)O)=CC=C1F
Synonyms:
  • (3-(tert-Butylcarbamoyl)-4-fluorophenyl)boronicacid
  • B-[3-[[(1,1-Dimethylethyl)amino]carbonyl]-4-fluorophenyl]boronic acid
  • Boronic acid, B-[3-[[(1,1-dimethylethyl)amino]carbonyl]-4-fluorophenyl]-
  • Boronic acid, [3-[[(1,1-dimethylethyl)amino]carbonyl]-4-fluorophenyl]-
  • [3-(Tert-Butylcarbamoyl)-4-Fluorophenyl]Boronic Acid
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