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CAS 1256359-99-5

:

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

Description:
1,1-Dimethylethyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate, with CAS number 1256359-99-5, is a complex organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This substance features a carboxylate functional group, indicating it is an ester, and includes a methoxy group that contributes to its reactivity and solubility properties. The presence of a boron-containing moiety, specifically a dioxaborolane, suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions. The tert-butyl group (1,1-dimethylethyl) enhances the compound's stability and lipophilicity, which may influence its biological activity and solubility in organic solvents. Overall, this compound's unique structural features make it of interest in synthetic organic chemistry and potentially in medicinal chemistry, although specific applications would depend on further research and characterization.
Formula:C20H28BNO5
InChI:InChI=1S/C20H28BNO5/c1-18(2,3)25-17(23)22-12-15(14-11-13(24-8)9-10-16(14)22)21-26-19(4,5)20(6,7)27-21/h9-12H,1-8H3
InChI key:InChIKey=IRZPWZYCUJFBJB-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(=C1)B3OC(C)(C)C(C)(C)O3)=CC(OC)=CC2
Synonyms:
  • tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
  • 1,1-Dimethylethyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
  • tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
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