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CS-W001157 4
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(1-(tert-Butyl)-1H-pyrazol-4-yl)boronic acid

  • CAS No. 1416785-99-3

  • Cat. No. CS-0095048
  • Purity≥97%
  • MDL No.MFCD18250635

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

(1-(tert-Butyl)-1H-pyrazol-4-yl)boronic acid|CS-0095048

Structure of 1416785-99-3

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General Information

  • CAS No. 1416785-99-3
  • Cat. No. CS-0095048
  • Purity ≥97%
  • MDL No. MFCD18250635
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃BN₂O₂
  • Molecular Weight 168.00
  • Synonym(s) [1-(2-Methyl-2-propanyl)-1H-pyrazol-4-yl]boronic acid
  • SMILES OB(C1=CN(C(C)(C)C)N=C1)O

Description

This boronate moiety integrates seamlessly into Suzuki-Miyaura cross-coupling reactions, offering high functional group tolerance and stability under standard conditions. The tert-butyl substituent enhances steric protection and solubility, enabling efficient coupling with aryl halides in aqueous or mixed solvent systems.

Application

(1-(tert-Butyl)-1H-pyrazol-4-yl)boronic acid serves as a stable, bench-ready building block for Suzuki-Miyaura cross-coupling reactions. Its pyrazole core imparts excellent functional group tolerance and metabolic stability, enabling efficient access to biaryl scaffolds in medicinal chemistry. The tert-butyl group enhances solubility and simplifies purification, while the boronic acid moiety facilitates reliable coupling under mild conditions.

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   58.28
  • LogP   -0.6821
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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