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CAS 857284-21-0

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1,1-Dimethylethyl 4-[5-(methoxycarbonyl)-2-pyridinyl]-1-piperazinecarboxylate

Description:
1,1-Dimethylethyl 4-[5-(methoxycarbonyl)-2-pyridinyl]-1-piperazinecarboxylate, identified by its CAS number 857284-21-0, is a chemical compound characterized by its complex structure, which includes a piperazine ring and a pyridine moiety. This compound features a tert-butyl group (1,1-dimethylethyl) that enhances its lipophilicity, potentially influencing its biological activity and solubility. The presence of the methoxycarbonyl group suggests it may participate in various chemical reactions, such as esterification or nucleophilic substitution. Additionally, the pyridine ring can contribute to the compound's electronic properties, making it a candidate for interactions with biological targets, such as receptors or enzymes. The overall structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Its synthesis and reactivity may be of interest in the context of drug design, where modifications to the piperazine or pyridine components could lead to derivatives with enhanced efficacy or selectivity.
Formula:C16H23N3O4
InChI:InChI=1S/C16H23N3O4/c1-16(2,3)23-15(21)19-9-7-18(8-10-19)13-6-5-12(11-17-13)14(20)22-4/h5-6,11H,7-10H2,1-4H3
InChI key:InChIKey=OOYFXPCYPUANLG-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CCN(CC1)C2=CC=C(C(OC)=O)C=N2
Synonyms:
  • tert-Butyl 4-[5-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate
  • 1,1-Dimethylethyl 4-[5-(methoxycarbonyl)-2-pyridinyl]-1-piperazinecarboxylate
  • 1-Piperazinecarboxylic acid, 4-[5-(methoxycarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
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