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

  • CAS No. 1492954-33-2

  • Cat. No. CS-0050812
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD09837627

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

4-Methyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole|CS-0050812

Structure of 1492954-33-2

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General Information

  • CAS No. 1492954-33-2
  • Cat. No. CS-0050812
  • Purity ≥97%
  • MDL No. MFCD09837627
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₅BN₂O₃
  • Molecular Weight None
  • Synonym(s) 4-methyl-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole
  • SMILES CC1=C(B2OC(C)(C)C(C)(C)O2)N(N=C1)C1CCCCO1

Description

This pyrazole derivative features a boronate ester group enabling efficient Suzuki-Miyaura coupling, paired with a bench-stable oxan-2-yl substituent that enhances solubility and stability. The methyl and tetramethyl-1,3,2-dioxaborolan-2-yl moieties facilitate selective functionalization in complex molecular architectures.

Application

4-Methyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole serves as a versatile boronate building block for Suzuki-Miyaura cross-coupling reactions. The tetramethylboronate group enables reliable C–C bond formation under mild conditions, while the oxan-2-yl and methyl substituents provide steric and electronic modulation. This compound exhibits good bench stability, facilitates purification by standard chromatography, and functions effectively in the construction of complex heterocyclic scaffolds and functionalized pyrazole derivatives used in medicinal chemistry.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   45.51
  • LogP   2.18982
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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