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CS-W001157 4
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tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate

  • CAS No. 877399-50-3

  • Cat. No. CS-M0354
  • Purity≥97%
  • MDL No.MFCD09831980

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

tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate|CS-M0354

Structure of 877399-50-3

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General Information

  • CAS No. 877399-50-3
  • Cat. No. CS-M0354
  • Purity ≥97%
  • MDL No. MFCD09831980
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀BrN₃O₂
  • Molecular Weight 330.22
  • Synonym(s) 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic Acid tert-Butyl Ester
  • SMILES O=C(OC(C)(C)C)N1CCC(CC1)N2N=CC(Br)=C2

Description

tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate features a brominated pyrazole moiety linked to a piperidine scaffold, enabling direct incorporation into diverse synthetic scaffolds. The tert-butyl ester group offers enhanced stability and ease of deprotection under mild acidic conditions. This compound serves as a key intermediate in medicinal chemistry for constructing bioactive molecules with targeted pharmacological profiles.

Application

tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate serves as a versatile building block for the synthesis of pyrazole-containing pharmaceutical intermediates. The bromo group enables palladium-catalyzed cross-coupling reactions, while the piperidine scaffold provides a rigid, basic nitrogen framework suitable for medicinal chemistry optimization. The tert-butyl carbamate offers excellent bench stability and facilitates straightforward deprotection under mild acidic conditions.

Synthesis

  • Route1
    • In-stock
      4-Bromopyrazole|CS-W009265
      2075-45-8
    • null|null
      141699-59-4
    • ~72%
    • In-stock
      tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate|CS-M0354
      877399-50-3

    References

    • Journal of Medicinal Chemistry, , vol. 54, # 12 p. 4092 - 4108
  • Route2
    • null|null
      109384-19-2
    • ~%
    • In-stock
      tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate|CS-M0354
      877399-50-3

    References

    • WO2013/53983 A1, ;
  • Route3
    • null|null
      5382-16-1
    • ~%
    • In-stock
      tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate|CS-M0354
      877399-50-3

    References

    • WO2013/53983 A1, ;

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   47.36
  • LogP   3.2176
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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