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CAS 945493-49-2

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

Description:
1-(1,1-Dimethylethyl) 2-borono-5-(dimethylamino)-1H-indole-1-carboxylate, with CAS number 945493-49-2, is a chemical compound that features a complex structure incorporating an indole moiety, a boron functional group, and a carboxylate. This compound is characterized by its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its unique structural properties. The presence of the dimethylamino group suggests it may exhibit basic properties, while the boron atom can participate in various chemical reactions, including those involving Lewis acid-base interactions. The tert-butyl group (1,1-dimethylethyl) contributes to the compound's steric bulk, which can influence its reactivity and solubility. Overall, this compound's characteristics make it a subject of interest for researchers exploring new therapeutic agents or chemical tools in organic synthesis. Its stability, reactivity, and interaction with biological systems would be key areas for further investigation in the context of drug development and chemical research.
Formula:C15H21BN2O4
InChI:InChI=1S/C15H21BN2O4/c1-15(2,3)22-14(19)18-12-7-6-11(17(4)5)8-10(12)9-13(18)16(20)21/h6-9,20-21H,1-5H3
InChI key:InChIKey=KQJRUICWEPXFIJ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(N(C)C)=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-5-(dimethylamino)-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 2-borono-5-(dimethylamino)-, 1-(1,1-dimethylethyl) ester
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