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1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

  • CAS No. 777063-41-9

  • Cat. No. CS-0135271
  • Purity≥97%
  • MDL No.MFCD05663867

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

1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-0135271

Structure of 777063-41-9

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General Information

  • CAS No. 777063-41-9
  • Cat. No. CS-0135271
  • Purity ≥97%
  • MDL No. MFCD05663867
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₅BN₂O₂
  • Molecular Weight 264.17
  • Synonym(s) 1-(3-Methylbutyl)-1H-Pyrazole-4-Boronic Acid,Pinacol Ester
  • SMILES CC1(C(C)(OB(O1)C2=CN(N=C2)CCC(C)C)C)C

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 52, # 24 p. 7934 - 7937
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    • ~%
    • 1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-0135271
      777063-41-9

    References

    • Journal of Heterocyclic Chemistry, , vol. 41, # 6 p. 931 - 939
  • Route3
    • 4-Bromo-1-isopentyl-1H-pyrazole|CS-0456196
      847818-48-8
    • ~%
    • 1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-0135271
      777063-41-9

    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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.28
  • LogP   2.2284
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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