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CAS 953411-05-7

:

1-(1,1-Dimethylethyl) 7-methyl 2-borono-1H-indole-1,7-dicarboxylate

Description:
1-(1,1-Dimethylethyl) 7-methyl 2-borono-1H-indole-1,7-dicarboxylate, with the CAS number 953411-05-7, is a chemical compound that features a complex structure characteristic of indole derivatives. This substance contains a boron atom, which is indicative of its potential applications in organic synthesis and medicinal chemistry, particularly in the development of boron-containing compounds for drug discovery. The presence of multiple functional groups, including carboxylate and boron, suggests that it may exhibit interesting reactivity and biological activity. The dimethyl and methyl substituents contribute to its steric properties, potentially influencing its interactions with biological targets. Additionally, the indole core is known for its role in various biological processes and can serve as a scaffold for the design of pharmaceuticals. Overall, this compound's unique structural features may provide avenues for research in areas such as catalysis, material science, and therapeutic development. However, specific physical and chemical properties such as solubility, melting point, and stability would require empirical data for precise characterization.
Formula:C15H18BNO6
InChI:InChI=1S/C15H18BNO6/c1-15(2,3)23-14(19)17-11(16(20)21)8-9-6-5-7-10(12(9)17)13(18)22-4/h5-8,20-21H,1-4H3
InChI key:InChIKey=DUYWVUSQQWEWAZ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC=CC2C(OC)=O
Synonyms:
  • 1H-Indole-1,7-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 7-methyl ester
  • 1-(1,1-Dimethylethyl) 7-methyl 2-borono-1H-indole-1,7-dicarboxylate
  • 1-BOC-7-(methoxycarbonyl)indole-2-boronic acid
  • (1-tert-Butoxycarbonyl-7-methoxycarbonylindol-2-yl)boronic acid
  • (1-(tert-Butoxycarbonyl)-7-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
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