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CAS 913835-81-1

:

1-(1,1-Dimethylethyl) 2-borono-7-methoxy-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-7-methoxy-1H-indole-1-carboxylate, with the CAS number 913835-81-1, is a chemical compound that belongs to the indole family, characterized by its unique structure that includes a boron functional group and a methoxy substituent. This compound typically exhibits properties associated with both indole derivatives and boron-containing compounds, such as potential reactivity in organic synthesis and applications in medicinal chemistry. The presence of the boron atom may enhance its utility in various chemical reactions, including cross-coupling reactions, which are valuable in the synthesis of complex organic molecules. Additionally, the tert-butyl group (1,1-dimethylethyl) contributes to the compound's steric bulk, potentially influencing its reactivity and solubility. The methoxy group can also affect the electronic properties of the indole ring, possibly enhancing its biological activity. Overall, this compound's unique structural features make it a subject of interest in research areas such as drug development and materials science.
Formula:C14H18BNO5
InChI:InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11(15(18)19)8-9-6-5-7-10(20-4)12(9)16/h5-8,18-19H,1-4H3
InChI key:InChIKey=JYRDIGLHLIDRNE-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC=CC2OC
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-7-methoxy-1H-indole-1-carboxylate
  • [7-Methoxy-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid
  • 1-Boc-7-methoxyindole-2-boronic acid
  • 1-(tert-Butoxycarbonyl)-7-methoxy-1H-indol-2-ylboronic acid
  • 1H-Indole-1-carboxylic acid, 2-borono-7-methoxy-, 1-(1,1-dimethylethyl) ester
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