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CS-W001157 4
Total: USD 88.00

4-(4-Formylphenyl)piperazine-1-carboxylic acid tert-butyl ester

  • CAS No. 197638-83-8

  • Cat. No. CS-W008993
  • Purity≥97%
  • MDL No.MFCD05864663

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

4-(4-Formylphenyl)piperazine-1-carboxylic acid tert-butyl ester|CS-W008993

Structure of 197638-83-8

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General Information

  • CAS No. 197638-83-8
  • Cat. No. CS-W008993
  • Purity ≥97%
  • MDL No. MFCD05864663
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂N₂O₃
  • Molecular Weight 290.36
  • Synonym(s) tert-Butyl 4-(4-formylphenyl)piperazine-1-carboxylate; 1-Boc-4-(4-formylphenyl)piperazine
  • SMILES O=C(N1CCN(C2=CC=C(C=O)C=C2)CC1)OC(C)(C)C

Description

This piperazine-based building block features a para-formylphenyl moiety and a tert-butyl ester group, enabling straightforward functionalization. The formyl group supports efficient coupling reactions, while the ester provides stability and ease of deprotection under mild conditions.

Application

4-(4-Formylphenyl)piperazine-1-carboxylic acid tert-butyl ester serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The aldehyde functionality enables efficient reductive amination, Suzuki-Miyaura coupling, or oxime formation, while the tert-butyl ester provides excellent bench stability and orthogonal deprotection under mild acidic conditions. Its compatibility with diverse reaction conditions facilitates rapid scaffold diversification in medicinal chemistry campaigns.

Synthesis

  • Route1
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • N-Boc-piperazine Olaparib Impurity|CS-0214004
      57260-71-6
    • ~39%
    • In-stock
      4-(4-Formylphenyl)piperazine-1-carboxylic acid tert-butyl ester|CS-W008993
      197638-83-8

    References

    • ACHAOGEN, INC. Patent: WO2008/154642 A2, 2008 ; Location in patent: Page/Page column 155-156 ; WO 2008/154642 A2
  • Route2

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 45, # 9 p. 1458 - 1469

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   49.85
  • LogP   2.5562
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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