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CAS 2096332-45-3

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1,1-Dimethylethyl 2,3-dihydro-2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 2,3-dihydro-2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate is a complex organic compound characterized by its unique structural features, including an indole core and a boron-containing moiety. The presence of the dimethyl group contributes to its steric bulk, while the dioxaborolane ring enhances its reactivity and potential applications in organic synthesis. This compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic indole structure, which may influence its solubility in organic solvents. Additionally, the presence of the carboxylate group suggests potential for hydrogen bonding and interactions with polar solvents. Its synthesis may involve multi-step reactions typical of complex organic molecules, and it may serve as an intermediate in the development of pharmaceuticals or agrochemicals. The specific properties, such as melting point, boiling point, and spectral characteristics, would require empirical measurement or detailed computational analysis for precise determination.
Formula:C19H26BNO5
InChI:InChI=1S/C19H26BNO5/c1-17(2,3)24-16(23)21-14-9-8-13(10-12(14)11-15(21)22)20-25-18(4,5)19(6,7)26-20/h8-10H,11H2,1-7H3
InChI key:InChIKey=COBKTUPAYDCBHU-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=CC(=CC2)B3OC(C)(C)C(C)(C)O3)CC1=O
Synonyms:
  • 1,1-Dimethylethyl 2,3-dihydro-2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 2,3-dihydro-2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
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