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CAS 1021342-94-8

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

Description:
1-(1,1-Dimethylethyl) 2-borono-5-(cyclohexylamino)-1H-indole-1-carboxylate, with the CAS number 1021342-94-8, is a chemical compound that features a complex structure incorporating an indole ring, a boron functional group, and a carboxylate moiety. This compound is characterized by its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to the presence of the indole scaffold, which is known for its biological activity. The boron atom in the structure may contribute to unique reactivity and binding properties, making it of interest in various chemical reactions, including those involving organoboron chemistry. The presence of the cyclohexylamino group suggests potential interactions with biological targets, enhancing its relevance in drug design. Additionally, the tert-butyl group (1,1-dimethylethyl) may influence the compound's solubility and steric properties. Overall, this compound exemplifies the intricate interplay of functional groups that can lead to diverse chemical behavior and biological activity.
Formula:C19H27BN2O4
InChI:InChI=1S/C19H27BN2O4/c1-19(2,3)26-18(23)22-16-10-9-15(21-14-7-5-4-6-8-14)11-13(16)12-17(22)20(24)25/h9-12,14,21,24-25H,4-8H2,1-3H3
InChI key:InChIKey=ZKOFONJWUNQPNW-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(NC3CCCCC3)=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-5-(cyclohexylamino)-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 2-borono-5-(cyclohexylamino)-, 1-(1,1-dimethylethyl) ester
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