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CAS 352359-23-0

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1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate is a chemical compound characterized by its complex structure, which includes an indole ring, a boronic acid moiety, and a carboxylate group. The presence of the 1,1-dimethylethyl group contributes to its steric bulk, potentially influencing its reactivity and interactions in various chemical environments. The fluorine atom introduces unique electronic properties, which can enhance the compound's stability and reactivity in certain reactions, such as cross-coupling processes commonly used in organic synthesis. The boron atom in the boronic acid group is known for its ability to form reversible covalent bonds with diols, making this compound useful in various applications, including medicinal chemistry and materials science. Additionally, the indole structure is often associated with biological activity, suggesting potential pharmacological applications. Overall, this compound's unique combination of functional groups and structural features makes it a valuable candidate for further research and development in synthetic and medicinal chemistry.
Formula:C13H15BFNO4
InChI:InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI key:InChIKey=TZHYEXHDCFQZGG-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(F)=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 2-borono-5-fluoro-, 1-(1,1-dimethylethyl) ester
  • N-tert-Butoxycarbonyl-5-fluoro-1H-indole-2-boronic acid
  • [1-(tert-butoxycarbonyl)-5-fluoro-1H-indol-2-yl]boronic acid
  • [1-[[(1,1-Dimethylethyl)oxy]carbonyl]-5-fluoro-1H-indol-2-yl]boronic acid
  • 1-Boc-5-fluoroindole-2-boronic Acid
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