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CAS 944450-81-1

:

1,1-Dimethylethyl 4-[4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]-2-pyridinyl]-1-piperazinecarboxylate

Description:
1,1-Dimethylethyl 4-[4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]-2-pyridinyl]-1-piperazinecarboxylate, identified by its CAS number 944450-81-1, is a complex organic compound characterized by its unique structural features. It contains a piperazine ring, which is a six-membered cyclic amine, and a pyridine moiety, contributing to its potential biological activity. The presence of a pentafluorophenoxy group indicates significant fluorination, which can enhance lipophilicity and metabolic stability. This compound is likely to exhibit interesting pharmacological properties due to its diverse functional groups, making it a candidate for research in medicinal chemistry. Its synthesis and characterization would involve standard organic reactions, including esterification and coupling reactions. The compound's solubility, stability, and reactivity would depend on the specific functional groups and their interactions with solvents and biological systems. Overall, this substance represents a class of compounds that may have applications in drug development or as biochemical probes.
Formula:C21H20F5N3O4
InChI:InChI=1S/C21H20F5N3O4/c1-21(2,3)33-20(31)29-8-6-28(7-9-29)12-10-11(4-5-27-12)19(30)32-18-16(25)14(23)13(22)15(24)17(18)26/h4-5,10H,6-9H2,1-3H3
InChI key:InChIKey=XHATYMDMSNXMKQ-UHFFFAOYSA-N
SMILES:C(OC1=C(F)C(F)=C(F)C(F)=C1F)(=O)C=2C=C(N=CC2)N3CCN(C(OC(C)(C)C)=O)CC3
Synonyms:
  • 1-Piperazinecarboxylic acid, 4-[4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]-2-pyridinyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-[4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]-2-pyridinyl]-1-piperazinecarboxylate
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