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CAS 475102-12-6

:

1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate, with the CAS number 475102-12-6, is a chemical compound that features a complex structure incorporating an indole moiety, 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 group can participate in various chemical transformations, including esterification and acid-base reactions. The tert-butyl group (1,1-dimethylethyl) contributes to the steric bulk of the molecule, which can influence its reactivity and solubility in different solvents. Overall, this compound may be of interest in medicinal chemistry and materials science due to its unique structural features and potential applications in drug development or as a building block in organic synthesis.
Formula:C13H15BClNO4
InChI:InChI=1/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI key:InChIKey=AHBMFEBTZKYPED-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=CC(Cl)=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate
  • 1H-Indole-1-carboxylic acid, 2-borono-5-chloro-, 1-(1,1-dimethylethyl) ester
  • 1H-indole-1-carboxylic acid, 2-borono-5-chloro-, 1,1-dimethylethyl ester
  • N-tert-Butoxycarbonyl-5-chloro-1H-indole-2-boronic acid
  • T56 Bnj Bvox1& 1& 1 Cbqq Gg [Wln]
  • (1-(tert-Butoxycarbonyl)-5-chloro-1H-indol-2-yl)boronic acid
  • 5-Chloro-N-Boc-2-indoleboronic acid
  • N-Boc-5-chloroindole-2-boronicacid
  • 1-(tert-butoxycarbonyl)-5-chloro-1H-indol-2-yl-2-boronic acid
  • 1-BOC-5-CHLORO-1H-INDOLE-2-BORONIC ACID
  • See more synonyms
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