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CS-W001157 4
Total: USD 88.00

3-(1H-Pyrazol-4-yl)benzoic acid

  • CAS No. 1002535-21-8

  • Cat. No. CS-0034079
  • Purity≥98%
  • MDL No.MFCD06739075

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

3-(1H-Pyrazol-4-yl)benzoic acid|CS-0034079

Structure of 1002535-21-8

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General Information

  • CAS No. 1002535-21-8
  • Cat. No. CS-0034079
  • Purity ≥98%
  • MDL No. MFCD06739075
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₂
  • Molecular Weight 188.19
  • Synonym(s) 3-Pyrazol-4-ylbenzoic acid
  • SMILES O=C(O)C1=CC=CC(=C1)C=2C=NNC2

Description

3-(1H-Pyrazol-4-yl)benzoic acid features a conjugated aryl-boronic acid scaffold with a pyrazole-containing heterocycle, enabling efficient cross-coupling reactions. The carboxylic acid group provides a handle for derivatization, while the electron-rich pyrazole ring enhances reactivity in palladium-catalyzed transformations. This compound serves as a key intermediate in the synthesis of bioactive molecules and functional materials.

Application

3-(1H-Pyrazol-4-yl)benzoic acid serves as a versatile building block for constructing bioactive heterocyclic scaffolds, enabling efficient coupling in amide bond formation and Suzuki-Miyaura cross-coupling reactions. The carboxylic acid group provides ready access to esters, amides, and acyl chlorides, while the pyrazole moiety offers robust hydrogen-bonding capacity and metabolic stability. Its bench-stable, crystalline nature facilitates straightforward isolation and purification, making it well-suited for medicinal chemistry and process development workflows.

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
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   1.7749
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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