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CS-W001157 4
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(3-(1H-Pyrazol-1-yl)phenyl)boronic acid

  • CAS No. 476620-22-1

  • Cat. No. CS-0005477
  • Molecule weight187.99
  • Purity≥98%
  • MDL No.MFCD05864582

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

(3-(1H-Pyrazol-1-yl)phenyl)boronic acid|CS-0005477

Structure of 476620-22-1

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General Information

  • CAS No. 476620-22-1
  • Cat. No. CS-0005477
  • Purity ≥98%
  • MDL No. MFCD05864582
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BN₂O₂
  • Molecular Weight 187.99
  • Synonym(s) 3-PYRAZOL-1-YL-PHENYLBORONIC ACID
  • SMILES OB(C1=CC=CC(N2N=CC=C2)=C1)O

Description

This boronic acid features a pyrazole-phenyl scaffold enabling efficient cross-coupling in Suzuki-Miyaura reactions. The ortho-substituted arylboron moiety enhances reactivity and stability under standard conditions, while the nitrogen-rich heterocycle improves solubility and functional group tolerance.

Application

(3-(1H-Pyrazol-1-yl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds with retained heterocyclic functionality. The pyrazole moiety enhances solubility and provides a handle for further derivatization, while the boronic acid group exhibits good bench stability and compatibility with diverse reaction conditions. This compound facilitates the synthesis of complex heteroaromatic systems relevant to medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H318
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   58.28
  • LogP   -0.4479
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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