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tert-Butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate

  • CAS No. 1589565-36-5

  • Cat. No. CS-0137480
  • Molecule weight225.29
  • Purity≥95%
  • MDL No.None

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

tert-Butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate|CS-0137480

Structure of 1589565-36-5

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General Information

  • CAS No. 1589565-36-5
  • Cat. No. CS-0137480
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₉N₃O₂
  • Molecular Weight 225.29
  • Synonym(s) tert-Butyl(S)-2-(cyanomethyl)piperazine-1-carboxylate
  • SMILES O=C(N1[C@@H](CC#N)CNCC1)OC(C)(C)C

Description

tert-Butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate is a chiral building block featuring a cyanomethyl group attached to a piperazine ring, enabling efficient access to bioactive nitrogen-containing scaffolds. This bench-stable, moisture-tolerant reagent integrates readily into medicinal chemistry campaigns requiring stereocontrolled synthesis of complex heterocycles.

Application

tert-Butyl (S)-2-(cyanomethyl)piperazine-1-carboxylate serves as a stable, bench-ready chiral building block for the synthesis of piperazine-based pharmaceutical intermediates. The cyanomethyl group enables selective functionalization via nucleophilic addition or hydrolysis to carboxylic acid, while the tert-butoxycarbonyl (Boc) group provides orthogonal protection. Its compatibility with standard coupling and reduction protocols facilitates efficient access to bioactive scaffolds in medicinal chemistry campaigns.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   65.36
  • LogP   1.10898
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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