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CS-W001157 4
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tert-Butyl 2-cyanopiperazine-1-carboxylate

  • CAS No. 1053656-76-0

  • Cat. No. CS-W006323
  • Purity≥95%
  • MDL No.MFCD10699269

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 2-cyanopiperazine-1-carboxylate|CS-W006323

Structure of 1053656-76-0

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General Information

  • CAS No. 1053656-76-0
  • Cat. No. CS-W006323
  • Purity ≥95%
  • MDL No. MFCD10699269
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇N₃O₂
  • Molecular Weight 211.26
  • Synonym(s) 2-Cyano-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
  • SMILES CC(C)(C)OC(=O)N1CCNCC1C#N

Description

tert-Butyl 2-cyanopiperazine-1-carboxylate features a sterically hindered tert-butyl ester paired with a cyano-substituted piperazine core, enabling stable incorporation of the piperazine scaffold in synthetic sequences. The electron-deficient nitrile group enhances reactivity in nucleophilic transformations and facilitates downstream functionalization. This bench-stable reagent streamlines access to bioactive piperazine derivatives in medicinal chemistry workflows.

Application

tert-Butyl 2-cyanopiperazine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperazine-based scaffolds. The nitrile group facilitates subsequent transformations such as hydrolysis, reduction, or cyclization, while the tert-butyl carbamate offers robust protection under standard conditions. Its bench stability and compatibility with diverse reaction environments make it well-suited for modular synthesis of bioactive molecules.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   65.36
  • LogP   0.71888
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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