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CAS 1256359-97-3

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

Description:
1-(1,1-Dimethylethyl) 4-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,4-dicarboxylate is a complex organic compound characterized by its indole core, which is a bicyclic structure containing a benzene ring fused to a pyrrole ring. This compound features multiple functional groups, including ester groups due to the dicarboxylate moiety, and a boron-containing dioxaborolane ring, which is known for its utility in organic synthesis and potential applications in materials science. The presence of bulky substituents, such as the tert-butyl and tetramethyl groups, suggests that the compound may exhibit steric hindrance, influencing its reactivity and solubility. Additionally, the indole structure is often associated with biological activity, making this compound of interest in medicinal chemistry. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental characterization.
Formula:C21H28BNO6
InChI:InChI=1S/C21H28BNO6/c1-19(2,3)27-18(25)23-12-14(22-28-20(4,5)21(6,7)29-22)16-13(17(24)26-8)10-9-11-15(16)23/h9-12H,1-8H3
InChI key:InChIKey=ACUCCQRPBRAWJS-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C2C(=CN(C(OC(C)(C)C)=O)C2=CC=C1)B3OC(C)(C)C(C)(C)O3
Synonyms:
  • 1-(1,1-Dimethylethyl) 4-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,4-dicarboxylate
  • 1H-Indole-1,4-dicarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-(1,1-dimethylethyl) 4-methyl ester
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