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CAS 1323952-12-0

:

1,1-Dimethylethyl 4-(5-chloro-2-pyrimidinyl)-1-piperazinecarboxylate

Description:
1,1-Dimethylethyl 4-(5-chloro-2-pyrimidinyl)-1-piperazinecarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring and a pyrimidine moiety. The presence of the 5-chloro-2-pyrimidinyl group suggests potential biological activity, as pyrimidines are often found in pharmaceuticals and agrochemicals. The dimethyl group attached to the ethyl group indicates steric hindrance, which can influence the compound's reactivity and interaction with biological targets. This compound is likely to be a solid at room temperature, with moderate solubility in organic solvents, reflecting its polar and non-polar characteristics due to the presence of both the piperazine and pyrimidine rings. Its carboxylate functional group may contribute to its acidity and potential for forming salts. Overall, this compound's unique structural features may render it of interest in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific properties such as melting point, boiling point, and spectral data would require experimental determination or literature reference for precise characterization.
Formula:C13H19ClN4O2
InChI:InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3
InChI key:InChIKey=YLJDBQSKVVKNGY-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CCN(CC1)C=2N=CC(Cl)=CN2
Synonyms:
  • tert-Butyl 4-(5-chloropyrimidin-2-yl)piperazine-1-carboxylate
  • 1,1-Dimethylethyl 4-(5-chloro-2-pyrimidinyl)-1-piperazinecarboxylate
  • 1-Piperazinecarboxylic acid, 4-(5-chloro-2-pyrimidinyl)-, 1,1-dimethylethyl ester
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