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CAS 1003043-73-9

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1-(1,1-Dimethylethyl) 4-(4-borono-2-pyridinyl)-1-piperazinecarboxylate

Description:
1-(1,1-Dimethylethyl) 4-(4-borono-2-pyridinyl)-1-piperazinecarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring, a pyridine moiety, and a boronic acid functional group. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its hydrophobic characteristics, while the boron atom in the boronic acid group is known for its ability to form reversible covalent bonds with diols, making it useful in various biochemical applications. This compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to its hydrophobic and polar functional groups. Its structure suggests potential applications in medicinal chemistry, particularly in drug design and development, where the piperazine and pyridine components may interact with biological targets. Additionally, the boronic acid functionality may play a role in molecular recognition processes. Overall, this compound's unique combination of functional groups positions it as a versatile candidate for further research in chemical and pharmaceutical fields.
Formula:C14H22BN3O4
InChI:InChI=1S/C14H22BN3O4/c1-14(2,3)22-13(19)18-8-6-17(7-9-18)12-10-11(15(20)21)4-5-16-12/h4-5,10,20-21H,6-9H2,1-3H3
InChI key:InChIKey=NPPRXKFGYZIUSR-UHFFFAOYSA-N
SMILES:B(O)(O)C=1C=C(N=CC1)N2CCN(C(OC(C)(C)C)=O)CC2
Synonyms:
  • 1-Piperazinecarboxylic acid, 4-(4-borono-2-pyridinyl)-, 1-(1,1-dimethylethyl) ester
  • [2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]pyridin-4-yl]boronic acid
  • 1-(1,1-Dimethylethyl) 4-(4-borono-2-pyridinyl)-1-piperazinecarboxylate
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