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CAS 869852-13-1

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

Description:
1,1-Dimethylethyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate, with CAS number 869852-13-1, is a complex organic compound characterized by its unique structural features. It contains an indole moiety, which is a bicyclic structure known for its presence in many biologically active compounds. The presence of a dioxaborolane group suggests potential applications in boron chemistry, particularly in organoboron compounds used for various synthetic transformations. The tert-butyl and methyl substituents contribute to its steric properties, potentially influencing its reactivity and solubility. This compound may exhibit interesting pharmacological properties due to the indole structure, which is often associated with neurotransmitter activity. Additionally, the presence of the carboxylate group indicates potential for further functionalization or interaction with biological targets. Overall, this compound's unique combination of functional groups and structural features makes it a subject of interest in both synthetic and medicinal chemistry.
Formula:C20H28BNO4
InChI:InChI=1S/C20H28BNO4/c1-13-14-11-9-10-12-15(14)22(17(23)24-18(2,3)4)16(13)21-25-19(5,6)20(7,8)26-21/h9-12H,1-8H3
InChI key:InChIKey=XYUZBXNCRMPFHN-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C(=C(C)C=2C1=CC=CC2)B3OC(C)(C)C(C)(C)O3
Synonyms:
  • 3-Methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)indole-1-carboxylic acid tert-butyl ester
  • 1H-Indole-1-carboxylic acid, 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
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