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CAS 352359-11-6

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1H-Indole-1-carboxylic acid, 5-borono-2,3-dihydro-, 1-(1,1-dimethylethyl) ester

Description:
1H-Indole-1-carboxylic acid, 5-borono-2,3-dihydro-, 1-(1,1-dimethylethyl) ester, identified by CAS number 352359-11-6, is a chemical compound that features a boron-containing moiety attached to an indole structure. This compound is characterized by its indole core, which is a bicyclic structure consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. The presence of the carboxylic acid group indicates potential for hydrogen bonding and reactivity, while the boron atom can participate in various coordination and reactivity patterns, making it useful in organic synthesis and medicinal chemistry. The tert-butyl ester group enhances the compound's lipophilicity, potentially improving its bioavailability. This compound may exhibit biological activity, particularly in the context of drug development, due to the indole framework's known pharmacological properties. Overall, its unique structural features suggest it could serve as a valuable intermediate or active ingredient in various chemical applications.
Formula:C13H18BNO4
InChI:InChI=1S/C13H18BNO4/c1-13(2,3)19-12(16)15-7-6-9-8-10(14(17)18)4-5-11(9)15/h4-5,8,17-18H,6-7H2,1-3H3
InChI key:InChIKey=QOMTYDDBSAMVBY-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=CC(B(O)O)=CC2)CC1
Synonyms:
  • 1H-Indole-1-carboxylic acid, 5-borono-2,3-dihydro-, 1-(1,1-dimethylethyl) ester
  • 1-(tert-Butoxycarbonyl)-5-indolineboronic acid
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