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CS-W001157 4
Total: USD 88.00

1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester

  • CAS No. 1282518-60-8

  • Cat. No. CS-W003889
  • Purity≥97%
  • MDL No.MFCD17167306

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

1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester|CS-W003889

Structure of 1282518-60-8

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General Information

  • CAS No. 1282518-60-8
  • Cat. No. CS-W003889
  • Purity ≥97%
  • MDL No. MFCD17167306
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₁BN₂O₂
  • Molecular Weight 236.12
  • Synonym(s) 1-Isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • SMILES CC(n1nccc1B1OC(C(O1)(C)C)(C)C)C

Description

This boronate ester integrates a sterically hindered isopropyl group and a stable tetramethyl-1,3,2-dioxaborolane moiety, enabling reliable cross-coupling under standard conditions. The pyrazole scaffold provides a rigid, electron-rich platform for modular derivatization in medicinal chemistry and materials science applications.

Application

1-(1-Methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole serves as a stable, bench-ready boronate building block for palladium-catalyzed cross-coupling reactions. Its pyrazole core provides excellent functional group tolerance and orthogonal reactivity, enabling efficient construction of biologically relevant heterocyclic scaffolds. The tetramethyl-substituted dioxaborolane moiety ensures high stability, minimal protodeboronation, and compatibility with diverse reaction conditions, facilitating straightforward purification and integration into complex molecular architectures.

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 : 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   1.7632
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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