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CS-W001157 4
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(1-(tert-Butoxycarbonyl)-1H-pyrazol-5-yl)boronic acid

  • CAS No. 1217500-54-3

  • Cat. No. CS-0040544
  • Purity≥97%
  • MDL No.MFCD12025961

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

(1-(tert-Butoxycarbonyl)-1H-pyrazol-5-yl)boronic acid|CS-0040544

Structure of 1217500-54-3

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General Information

  • CAS No. 1217500-54-3
  • Cat. No. CS-0040544
  • Purity ≥97%
  • MDL No. MFCD12025961
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃BN₂O₄
  • Molecular Weight 212.01
  • Synonym(s) 1-(tert-Butoxycarbonyl)-1H-pyrazol-5-ylboronic acid
  • SMILES O=C(N1N=CC=C1B(O)O)OC(C)(C)C

Description

This boronate moiety integrates a tert-butyl-protected pyrazole ring, offering a bench-stable, moisture-tolerant platform for C–C coupling reactions. The electron-deficient pyrazole core enables selective cross-coupling under mild conditions, while the Boc group provides orthogonal protection.

Application

(1-(tert-Butoxycarbonyl)-1H-pyrazol-5-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-butoxycarbonyl group provides orthogonal protection for subsequent amine derivatization. The compound exhibits excellent stability, facilitates straightforward purification, and functions reliably in multi-step syntheses requiring functional group tolerance and compatibility with diverse reaction 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 : 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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