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tert-Butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate

  • CAS No. 183742-33-8

  • Cat. No. CS-0047093
  • Purity≥95%
  • MDL No.None

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

tert-Butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate|CS-0047093

Structure of 183742-33-8

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General Information

  • CAS No. 183742-33-8
  • Cat. No. CS-0047093
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂N₂O₄
  • Molecular Weight 258.31
  • Synonym(s) N-4-Boc-2-Piperazineacetic Acid Methyl Ester
  • SMILES O=C(N1CC(CC(OC)=O)NCC1)OC(C)(C)C

Description

tert-Butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate features a piperazine core functionalized with a methoxyketone side chain, enabling direct incorporation into diverse synthetic scaffolds. This bench-stable, moisture-tolerant reagent facilitates efficient derivatization in medicinal chemistry and process development workflows.

Application

tert-Butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate serves as a versatile piperazine-based building block for medicinal chemistry and API synthesis. The ester-functionalized side chain enables selective derivatization, while the tert-butoxycarbonyl group offers stable protection of the piperazine nitrogen. Its bench-stable nature and compatibility with standard coupling and reduction protocols facilitate efficient access to complex heterocyclic scaffolds and functionalized piperazine derivatives.

Synthesis

  • Route1
    • null|null
      314741-49-6
    • ~%
    • In-stock
      tert-Butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate|CS-0047093
      183742-33-8

    References

    • EP1187828 B1, ; Page 15 ;
  • Route2
    • In-stock
      Methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate|CS-0161680
      183742-32-7
    • null|null
      74651-77-7
    • ~%
    • In-stock
      tert-Butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate|CS-0047093
      183742-33-8

    References

    • US6432947 B1, ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 6 p. 1146 - 1157

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   67.87
  • LogP   0.7584
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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