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CAS 1256359-21-3

:

1H-Indole-6-carboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

Description:
1H-Indole-6-carboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, identified by its CAS number 1256359-21-3, is a chemical compound that features an indole ring, which is a bicyclic structure composed of a benzene fused to a pyrrole. This compound contains a carboxylic acid functional group and a methyl ester, indicating it can participate in various chemical reactions, such as esterification and hydrolysis. The presence of the boron-containing moiety (4,4,5,5-tetramethyl-1,3,2-dioxaborolane) suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions, which are valuable in synthetic organic chemistry. The compound's structure may impart specific solubility and reactivity characteristics, making it of interest in medicinal chemistry and material science. Additionally, the indole framework is known for its biological activity, which could suggest potential pharmacological applications. Overall, this compound exemplifies the intersection of organic synthesis and functional group manipulation in chemical research.
Formula:C16H20BNO4
InChI:InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)13-9-10-6-7-11(14(19)20-5)8-12(10)18-13/h6-9,18H,1-5H3
InChI key:InChIKey=MOQAIXOQKOUHGG-UHFFFAOYSA-N
SMILES:CC1(C)OB(C=2NC=3C(C2)=CC=C(C(OC)=O)C3)OC1(C)C
Synonyms:
  • 1H-Indole-6-carboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate
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