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2-Methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol

  • CAS No. 1082503-77-2

  • Cat. No. CS-0051886
  • Purity≥96%
  • MDL No.None

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

2-Methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol|CS-0051886

Structure of 1082503-77-2

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General Information

  • CAS No. 1082503-77-2
  • Cat. No. CS-0051886
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₃BN₂O₃
  • Molecular Weight 266.14
  • Synonym(s) [1-(2-Hydroxy-2-methyl-propyl)pyrazol-4-yl]boronic acid pinacol ester
  • SMILES CC(C)(O)CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1

Description

This boronate-functionalized pyrazole integrates readily into Suzuki-Miyaura coupling reactions under standard conditions, offering high stability and compatibility with diverse reaction environments. The tetramethyl-1,3,2-dioxaborolane moiety enables efficient cross-coupling, while the tertiary alcohol scaffold provides steric protection and enhanced solubility in polar aprotic solvents.

Application

2-Methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. The tetramethylboronate moiety enables efficient coupling with aryl and heteroaryl halides under mild conditions, while the pyrazole core provides a versatile scaffold for medicinal chemistry applications. Its tertiary alcohol functionality enhances solubility and facilitates purification, making it well-suited for iterative synthesis of 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   56.51
  • LogP   0.9532
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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