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CAS 1909337-12-7

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1,1-Dimethylethyl 3-oxo-4-(2-propyn-1-yl)-1-piperazinecarboxylate

Description:
1,1-Dimethylethyl 3-oxo-4-(2-propyn-1-yl)-1-piperazinecarboxylate, identified by its CAS number 1909337-12-7, is a chemical compound that features a piperazine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms. This compound is characterized by the presence of a carboxylate functional group, contributing to its potential reactivity and solubility in various solvents. The presence of the 3-oxo group indicates that it has a ketone functionality, which can influence its chemical behavior and interactions. Additionally, the 2-propyn-1-yl substituent introduces an alkyne moiety, which can participate in various chemical reactions, including cycloadditions and coupling reactions. The dimethyl group attached to the piperazine enhances steric hindrance, potentially affecting the compound's biological activity and pharmacokinetics. Overall, this compound may exhibit interesting properties that could be explored for applications in medicinal chemistry or materials science, although specific biological or physical properties would require further investigation.
Formula:C12H18N2O3
InChI:InChI=1S/C12H18N2O3/c1-5-6-13-7-8-14(9-10(13)15)11(16)17-12(2,3)4/h1H,6-9H2,2-4H3
InChI key:InChIKey=DPYHPGSWHBCBHX-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC(=O)N(CC#C)CC1
Synonyms:
  • 1,1-Dimethylethyl 3-oxo-4-(2-propyn-1-yl)-1-piperazinecarboxylate
  • tert-Butyl 3-oxo-4-(prop-2-ynyl)piperazine-1-carboxylate
  • 1-Piperazinecarboxylic acid, 3-oxo-4-(2-propyn-1-yl)-, 1,1-dimethylethyl ester
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