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CAS 1000068-25-6

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1-(1,1-Dimethylethyl) 2-borono-4-fluoro-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-4-fluoro-1H-indole-1-carboxylate, with CAS number 1000068-25-6, is a chemical compound characterized by its complex structure, which includes an indole ring, a boron functional group, and a carboxylate moiety. The presence of the 1,1-dimethylethyl group contributes to its steric bulk, influencing its reactivity and interactions with other molecules. The fluorine atom introduces unique electronic properties, potentially enhancing the compound's lipophilicity and altering its biological activity. This compound is often utilized in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to participate in various chemical reactions, including cross-coupling reactions. Its boron-containing structure may also facilitate the formation of boron-based complexes, which are valuable in catalysis and material science. Overall, the combination of these functional groups makes it a versatile compound in chemical research and applications.
Formula:C13H15BFNO4
InChI:InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI key:InChIKey=GIHZCAVQMVZATP-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=C(F)C=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-4-fluoro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 2-borono-4-fluoro-, 1-(1,1-dimethylethyl) ester
  • [4-Fluoro-1-[(2-Methylpropan-2-Yl)Oxycarbonyl]Indol-2-Yl]Boronic Acid
  • [1-(tert-Butoxycarbonyl)-4-fluoro-1H-indol-2-yl]boronic acid
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