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CAS 1704064-07-2

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1-(1,1-Dimethylethyl) 4-[3-(4-borono-2-fluorophenoxy)propyl]-1-piperazinecarboxylate

Description:
1-(1,1-Dimethylethyl) 4-[3-(4-borono-2-fluorophenoxy)propyl]-1-piperazinecarboxylate, identified by its CAS number 1704064-07-2, is a chemical compound characterized by its complex structure, which includes a piperazine ring, a carboxylate group, and a boron-containing moiety. This compound features a tert-butyl group, which contributes to its hydrophobic characteristics, and a fluorophenoxy group that may enhance its biological activity and solubility in organic solvents. The presence of the boron atom suggests potential applications in medicinal chemistry, particularly in drug design, as boron-containing compounds can interact with biological targets in unique ways. Additionally, the piperazine ring is known for its role in various pharmacological agents, providing potential for interactions with neurotransmitter receptors. Overall, this compound's unique structural features may confer specific properties that could be explored in pharmaceutical research and development, particularly in the context of targeted therapies or as a building block for more complex molecules.
Formula:C18H28BFN2O5
InChI:InChI=1S/C18H28BFN2O5/c1-18(2,3)27-17(23)22-10-8-21(9-11-22)7-4-12-26-16-6-5-14(19(24)25)13-15(16)20/h5-6,13,24-25H,4,7-12H2,1-3H3
InChI key:InChIKey=FGFINSBWXXPWIQ-UHFFFAOYSA-N
SMILES:O(CCCN1CCN(C(OC(C)(C)C)=O)CC1)C2=C(F)C=C(B(O)O)C=C2
Synonyms:
  • 1-(1,1-Dimethylethyl) 4-[3-(4-borono-2-fluorophenoxy)propyl]-1-piperazinecarboxylate
  • 1-Piperazinecarboxylic acid, 4-[3-(4-borono-2-fluorophenoxy)propyl]-, 1-(1,1-dimethylethyl) ester
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