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CS-W001157 4
Total: USD 88.00

1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester

  • CAS No. 844891-04-9

  • Cat. No. CS-W000979
  • Purity≥98%
  • MDL No.MFCD06659062

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

1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester|CS-W000979

Structure of 844891-04-9

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General Information

  • CAS No. 844891-04-9
  • Cat. No. CS-W000979
  • Purity ≥98%
  • MDL No. MFCD06659062
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₁BN₂O₂
  • Molecular Weight 236.12
  • Synonym(s) 2-(1,3,5-Trimethyl-4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • SMILES Cc1nn(c(c1B1OC(C(O1)(C)C)(C)C)C)C

Application

1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. Its pyrazole core offers enhanced solubility and functional group tolerance, enabling efficient late-stage diversification in heterocyclic synthesis. The pinacol ester moiety ensures excellent stability, simplifies purification, and facilitates reliable coupling with aryl and vinyl halides under mild conditions.

Synthesis

  • Route1
    • null|null
      61676-62-8
    • ~74%
    • In-stock
      1,3,5-Trimethyl-1H-pyrazole-4-boronic acid pinacol ester|CS-W000979
      844891-04-9

    References

    • Liu, Huaqing; Hancock, Arthur A.; Cowart, Marlon D.; Hancock, Kathryn J. Patent: US2007/78133 A1, 2007 ; Location in patent: Page/Page column 29-30 ; US 20070078133 A1
  • Route2

    References

    • Ivachtchenko, Alexandre V.; Kravchenko, Dmitry V.; Zheludeva, Valentina I.; Pershin, Dmitry G. Journal of Heterocyclic Chemistry, 2004 , vol. 41, # 6 p. 931 - 939
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 41, # 6 p. 931 - 939

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

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Computational Chemistry Data

  • TPSA   36.28
  • LogP   1.33614
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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