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CS-W001157 4
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tert-Butyl (3R)-3-cyanopiperazine-1-carboxylate

  • CAS No. 1217791-74-6

  • Cat. No. CS-0060957
  • Purity≥95%
  • MDL No.MFCD09263268

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

tert-Butyl (3R)-3-cyanopiperazine-1-carboxylate|CS-0060957

Structure of 1217791-74-6

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General Information

  • CAS No. 1217791-74-6
  • Cat. No. CS-0060957
  • Purity ≥95%
  • MDL No. MFCD09263268
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇N₃O₂
  • Molecular Weight 211.26
  • Synonym(s) R-4-N-Boc-2-cyanopiperidine
  • SMILES CC(C)(C)OC(=O)N1CCN[C@@H](C#N)C1

Description

This tert-butyl (3R)-3-cyanopiperazine-1-carboxylate features a stereochemically defined piperazine core with a cyano group at the 3-position, enabling direct incorporation into bioactive molecules. The tert-butyl ester facilitates convenient deprotection under mild acidic conditions, offering streamlined access to functionalized piperazines in medicinal chemistry and drug discovery workflows.

Application

tert-Butyl (3R)-3-cyanopiperazine-1-carboxylate serves as a stereochemically defined building block for the synthesis of piperazine-based pharmaceuticals and agrochemicals. The nitrile group enables downstream transformations such as amide formation, reductive amination, or cyclization to tetrazoles, while the tert-butyl ester provides bench stability and facile deprotection under mild acidic conditions. Its configurational purity supports consistent stereocontrol in complex molecule assembly.

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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