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CS-W001157 4
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Tert-butyl (S)-3-(trifluoromethyl)piperazine-1-carboxylate

  • CAS No. 1240587-95-4

  • Cat. No. CS-0173470
  • Purity≥97%
  • MDL No.None

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

Tert-butyl (S)-3-(trifluoromethyl)piperazine-1-carboxylate|CS-0173470

Structure of 1240587-95-4

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General Information

  • CAS No. 1240587-95-4
  • Cat. No. CS-0173470
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇F₃N₂O₂
  • Molecular Weight 254.25
  • Synonym(s) 2-Methyl-2-propanyl (3S)-3-(trifluoromethyl)-1-piperazinecarboxylate
  • SMILES O=C(N1C[C@@H](C(F)(F)F)NCC1)OC(C)(C)C

Description

Tert-butyl (S)-3-(trifluoromethyl)piperazine-1-carboxylate features a chiral piperazine core with a strongly electron-withdrawing trifluoromethyl group, enhancing stability and modulating basicity. This bench-stable, moisture-tolerant building block integrates readily into medicinal chemistry campaigns requiring fluorinated heterocycles.

Application

Tert-butyl (S)-3-(trifluoromethyl)piperazine-1-carboxylate serves as a stable, bench-ready chiral building block for medicinal chemistry and process development. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the piperazine core enables versatile functionalization in late-stage diversification. The tert-butyl carbamate protects the amine under standard conditions, facilitating purification and compatibility with diverse coupling reactions. This compound functions effectively in transition-metal-catalyzed cross-couplings, nucleophilic substitutions, and heterocycle assembly workflows.

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

Quality Control

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.7576
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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