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CS-W001157 4
Total: USD 88.00

Tert-butyl 4-(but-3-yn-1-yl)piperazine-1-carboxylate

  • CAS No. 1232152-74-7

  • Cat. No. CS-0456468
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 4-(but-3-yn-1-yl)piperazine-1-carboxylate|CS-0456468

Structure of 1232152-74-7

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General Information

  • CAS No. 1232152-74-7
  • Cat. No. CS-0456468
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₂N₂O₂
  • Molecular Weight 238.33
  • Synonym(s) None
  • SMILES C#CCCN1CCN(CC1)C(=O)OC(C)(C)C

Description

Tert-butyl 4-(but-3-yn-1-yl)piperazine-1-carboxylate features a terminal alkyne group appended to a piperazine scaffold, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) for bioconjugation. The tert-butyl ester provides stability and ease of deprotection under mild acidic conditions, while the piperazine moiety offers favorable solubility and metabolic resilience. This reagent serves as a robust building block in click chemistry workflows.

Application

Tert-butyl 4-(but-3-yn-1-yl)piperazine-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperazine-based scaffolds via copper-catalyzed azide-alkyne cycloaddition (CuAAC). The terminal alkyne functionality facilitates conjugation with azides under mild conditions, while the tert-butyl carbamate group offers excellent stability and convenient deprotection. Its robustness and compatibility with diverse functional groups make it ideal for late-stage diversification in API development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   32.78
  • LogP   1.5624
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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