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CS-W001157 4
Total: USD 88.00

(3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid

  • CAS No. 2739830-29-4

  • Cat. No. CS-0373613
  • Purity≥98%
  • MDL No.None

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

(3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid|CS-0373613

Structure of 2739830-29-4

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General Information

  • CAS No. 2739830-29-4
  • Cat. No. CS-0373613
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆BN₃O₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES N#CC1=NN(C)C(B(O)O)=C1

Description

This boronate moiety features a cyano-substituted pyrazole scaffold, delivering enhanced stability and compatibility in cross-coupling reactions. The methyl group at the 1-position improves solubility, while the electron-deficient pyrazole ring enables efficient palladium-catalyzed transformations under standard conditions.

Application

(3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl and heteroaryl architectures. The cyano group enhances electrophilicity for downstream functionalization, while the boronic acid moiety offers excellent bench stability and compatibility with diverse reaction conditions. Its orthogonality to common protecting groups and reliable performance in late-stage diversification make it a practical choice for medicinal chemistry and materials synthesis workflows.

Safety Information

Download SDS
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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   82.07
  • LogP   -2.02842
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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