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CS-W001157 4
Total: USD 88.00

(1-(3-Chlorophenyl)-1H-pyrazol-4-yl)boronic acid

  • CAS No. 1072945-88-0

  • Cat. No. CS-0138615
  • Purity≥97%
  • MDL No.MFCD09878353

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

(1-(3-Chlorophenyl)-1H-pyrazol-4-yl)boronic acid|CS-0138615

Structure of 1072945-88-0

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General Information

  • CAS No. 1072945-88-0
  • Cat. No. CS-0138615
  • Purity ≥97%
  • MDL No. MFCD09878353
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BClN₂O₂
  • Molecular Weight 222.44
  • Synonym(s) 1-(3-Chlorophenyl)pyrazole-4-boronic acid
  • SMILES OB(C1=CN(C2=CC=CC(Cl)=C2)N=C1)O

Description

This boronate moiety integrates a 3-chlorophenyl-pyrazole scaffold, offering enhanced stability and compatibility in Suzuki-Miyaura cross-coupling reactions. The para-positioned boronic acid enables efficient C–C bond formation under standard conditions, while the chlorinated aromatic ring provides tunable electronic properties for synthetic applications in medicinal chemistry and materials science.

Application

(1-(3-Chlorophenyl)-1H-pyrazol-4-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl and heterobiaryl scaffolds. Its stability under ambient conditions, compatibility with diverse functional groups, and predictable reactivity make it well-suited for medicinal chemistry and materials synthesis applications.

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 : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   58.28
  • LogP   0.2055
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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