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CAS 475102-11-5

:

1-(1,1-Dimethylethyl) 2-borono-4-chloro-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-4-chloro-1H-indole-1-carboxylate, with CAS number 475102-11-5, is a chemical compound that features a complex structure incorporating an indole ring, a boron functional group, and a chloro substituent. This compound is characterized by its boron atom, which typically enhances reactivity in organic synthesis, particularly in cross-coupling reactions. The presence of the chloro group suggests potential for nucleophilic substitution reactions, while the carboxylate moiety can participate in various chemical transformations, including esterification and acid-base reactions. The tert-butyl group (1,1-dimethylethyl) contributes to steric hindrance, which can influence the compound's reactivity and solubility. Overall, this compound is of interest in medicinal chemistry and materials science, particularly for its potential applications in drug development and as a building block in organic synthesis. Its unique structural features make it a valuable candidate for further research in various chemical applications.
Formula:C13H15BClNO4
InChI:InChI=1S/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI key:InChIKey=HUWASNXIUPJIJH-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=C(Cl)C=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-4-chloro-1H-indole-1-carboxylate
  • 1-Boc-4-chloroindole-2-boronicacid
  • 1H-Indole-1-carboxylic acid, 2-borono-4-chloro-, 1-(1,1-dimethylethyl) ester
  • [1-[(tert-Butoxy)carbonyl]-4-chloro-1H-indol-2-yl]boronic acid
  • (1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl)boronic acid
  • [1-(tert-Butoxycarbonyl)-4-chloro-1H-indol-2-yl]boronic acid
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