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CS-W001157 4
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tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate

  • CAS No. 886779-69-7

  • Cat. No. CS-0154677
  • Purity≥97%
  • MDL No.MFCD08686626

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

tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate|CS-0154677

Structure of 886779-69-7

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General Information

  • CAS No. 886779-69-7
  • Cat. No. CS-0154677
  • Purity ≥97%
  • MDL No. MFCD08686626
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇F₃N₂O₂
  • Molecular Weight 254.25
  • Synonym(s) 1-Piperazinecarboxylic acid, 3-(trifluoromethyl)-, 1,1-dimethylethyl ester
  • SMILES CC(C)(C)OC(=O)N1CCNC(C1)C(F)(F)F

Description

tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate features a trifluoromethyl-substituted piperazine core with a robust tert-butoxycarbonyl protecting group. This stable, moisture-tolerant reagent integrates readily into medicinal chemistry workflows, enabling efficient access to bioactive trifluoromethylated piperazines through mild deprotection.

Application

tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate serves as a stable, bench-ready building block for the synthesis of trifluoromethylated piperazine derivatives. Its tert-butyl carbamate group enables straightforward deprotection under mild acidic conditions, while the trifluoromethyl substituent imparts enhanced metabolic stability and lipophilicity. The molecule functions effectively in coupling reactions, facilitates access to bioactive scaffolds in medicinal chemistry, and exhibits excellent functional group tolerance in standard synthetic workflows.

Safety Information

Download SDS
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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