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

  • CAS No. 1040377-18-1

  • Cat. No. CS-0051878
  • Purity≥95%
  • MDL No.None

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

2-Methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-1-ol|CS-0051878

Structure of 1040377-18-1

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General Information

  • CAS No. 1040377-18-1
  • Cat. No. CS-0051878
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₃BN₂O₃
  • Molecular Weight 266.14
  • Synonym(s) 2-Methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-ol
  • SMILES CC(C)(CO)N1C=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. The tetramethyl-1,3,2-dioxaborolan-2-yl moiety ensures excellent stability and reactivity, while the tertiary alcohol group provides solubility and steric protection. Designed for efficient C–C bond formation in complex molecule synthesis.

Application

2-Methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-1-ol serves as a stable, bench-ready boronate building block for palladium-catalyzed cross-coupling reactions. Its tetramethylboronate group enables efficient Suzuki-Miyaura coupling under mild conditions, while the sterically hindered tertiary alcohol imparts enhanced stability and ease of purification. The pyrazole core provides a versatile heterocyclic scaffold for medicinal chemistry applications, with broad functional group tolerance facilitating downstream derivatization in complex molecule synthesis.

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   0.9097
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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