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CS-W001157 4
Total: USD 88.00

(1-(tert-Butoxycarbonyl)-1H-pyrazol-4-yl)boronic acid

  • CAS No. 1188405-87-9

  • Cat. No. CS-W005672
  • Purity≥96%
  • MDL No.MFCD09951915

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

(1-(tert-Butoxycarbonyl)-1H-pyrazol-4-yl)boronic acid|CS-W005672

Structure of 1188405-87-9

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General Information

  • CAS No. 1188405-87-9
  • Cat. No. CS-W005672
  • Purity ≥96%
  • MDL No. MFCD09951915
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃BN₂O₄
  • Molecular Weight 212.01
  • Synonym(s) 1H-Pyrazole-1-carboxylic acid, 4-borono-, 1-(1,1-dimethylethyl) ester
  • SMILES C(C)(C)(C)OC(=O)[N]1C=C(C=N1)B(O)O

Description

This boronate moiety integrates a tert-butyl carbamate-protected pyrazole scaffold, offering enhanced stability and solubility in aqueous-organic mixtures. The pendant boronic acid enables direct Suzuki-Miyaura cross-coupling under mild conditions, facilitating rapid access to functionalized heterocycles for medicinal chemistry and materials synthesis.

Application

(1-(tert-Butoxycarbonyl)-1H-pyrazol-4-yl)boronic acid serves as a stable, bench-ready building block for the construction of pyrazole-containing scaffolds in medicinal chemistry and materials science. Its boronic acid functionality enables efficient Suzuki-Miyaura coupling under mild conditions, while the tert-butyl carbamate group provides protection and enhanced solubility. The compound exhibits excellent functional group tolerance and facilitates straightforward deprotection to reveal the free pyrazole amine, making it ideal for iterative synthesis workflows and API development.

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   84.58
  • LogP   -0.6539
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   1

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