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

  • CAS No. 877399-73-0

  • Cat. No. CS-M0267
  • Purity≥97%
  • MDL No.MFCD12913927

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

tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate|CS-M0267

Structure of 877399-73-0

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General Information

  • CAS No. 877399-73-0
  • Cat. No. CS-M0267
  • Purity ≥97%
  • MDL No. MFCD12913927
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀IN₃O₂
  • Molecular Weight 377.22
  • Synonym(s) tert-butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate
  • SMILES O=C(OC(C)(C)C)N1CCC(CC1)N2N=CC(I)=C2

Description

tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate features a sterically hindered piperidine scaffold bearing a readily functionalizable iodo-substituted pyrazole. This stable, bench-ready building block integrates efficiently into cross-coupling reactions, enabling rapid access to complex heterocyclic architectures in medicinal chemistry and materials synthesis.

Application

tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate serves as a versatile building block for constructing pyrazole-containing scaffolds in medicinal chemistry. The iodine handle enables efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions, while the tert-butyl carbamate group provides excellent stability and ease of removal under mild acidic conditions. Its compatibility with diverse reaction conditions facilitates rapid diversification in target-oriented synthesis.

Synthesis

  • Route1
    • In-stock
      4-Iodopyrazole|CS-W008950
      3469-69-0
    • null|null
      141699-59-4
    • ~70%
    • In-stock
      tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate|CS-M0267
      877399-73-0

    References

    • Shanghai Institute Materia Medica, Chinese Academy Of Sciences; DUAN, Wenhu; GENG, Meiyu; CHEN, Fang; AI, Jing; CHEN, Yi; ZHAN, Zhengsheng; LV, Yongcong; WANG, Ying; DING, Jian Patent: EP2650293 A1, 2013 ; Location in patent: Paragraph 0195; 0196 ;
  • Route2

    References

    • ADVINUS THERAPEUTICS LIMITED; THAKKAR, Mahesh; KOUL, Summon; BHUNIYA, Debnath; MOOKHTIAR, Kasim; KURHADE, Santosh; MUNOT, Yogesh Patent: WO2013/157022 A1, 2013 ; Location in patent: Page/Page column 56-57 ;
  • Route3
    • null|null
      109384-19-2
    • ~%
    • In-stock
      tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate|CS-M0267
      877399-73-0

    References

    • Journal of Medicinal Chemistry, , vol. 54, # 12 p. 4092 - 4108

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   3.0597
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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