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CAS 1218790-82-9

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1-(1,1-Dimethylethyl) 4-(3-boronobenzoyl)-1-piperazinecarboxylate

Description:
1-(1,1-Dimethylethyl) 4-(3-boronobenzoyl)-1-piperazinecarboxylate is a chemical compound characterized by its unique structural features, which include a piperazine ring, a boron-containing moiety, and a tert-butyl group. The presence of the piperazine ring contributes to its potential biological activity, as piperazine derivatives are often explored for their pharmacological properties. The boron substituent, specifically a boron-containing benzoyl group, may enhance the compound's reactivity and ability to form complexes, which is significant in medicinal chemistry and materials science. This compound is likely to exhibit moderate to high lipophilicity due to the tert-butyl group, influencing its solubility and permeability in biological systems. Additionally, the carboxylate functional group may participate in various chemical reactions, including esterification and coordination with metal ions. Overall, the combination of these functional groups suggests potential applications in drug development, particularly in targeting specific biological pathways or as a building block for more complex molecules.
Formula:C16H23BN2O5
InChI:InChI=1S/C16H23BN2O5/c1-16(2,3)24-15(21)19-9-7-18(8-10-19)14(20)12-5-4-6-13(11-12)17(22)23/h4-6,11,22-23H,7-10H2,1-3H3
InChI key:InChIKey=ULYBKVRJSMFUJC-UHFFFAOYSA-N
SMILES:C(=O)(C1=CC(B(O)O)=CC=C1)N2CCN(C(OC(C)(C)C)=O)CC2
Synonyms:
  • 1-Piperazinecarboxylic acid, 4-(3-boronobenzoyl)-, 1-(1,1-dimethylethyl) ester
  • 1-(1,1-Dimethylethyl) 4-(3-boronobenzoyl)-1-piperazinecarboxylate
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