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5-(3-Bromophenyl)-1H-pyrazole

  • CAS No. 149739-65-1

  • Cat. No. CS-0038370
  • Purity≥98%
  • MDL No.None

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

5-(3-Bromophenyl)-1H-pyrazole|CS-0038370

Structure of 149739-65-1

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General Information

  • CAS No. 149739-65-1
  • Cat. No. CS-0038370
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrN₂
  • Molecular Weight 223.07
  • Synonym(s) 5-(3-Bromo-Phenyl)-1H-Pyrazole
  • SMILES C1=CC(=CC(=C1)Br)C2=NNC=C2

Description

5-(3-Bromophenyl)-1H-pyrazole features a brominated phenyl group attached to the pyrazole core, enabling direct incorporation into cross-coupling reactions. This electron-deficient heterocycle serves as a key scaffold for bioactive molecule synthesis and functional material development under standard conditions.

Application

5-(3-Bromophenyl)-1H-pyrazole serves as a versatile building block for the synthesis of functionalized heterocycles and bioactive molecules. Its bromine substituent enables facile palladium-catalyzed cross-coupling reactions, facilitating the construction of complex aryl-aryl linkages. The pyrazole core exhibits good bench stability and compatibility with diverse reaction conditions, making it well-suited for iterative synthetic strategies in medicinal chemistry and materials science.

Synthesis

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      5-(3-Bromophenyl)-1H-pyrazole|CS-0038370
      149739-65-1

    References

    • MSD OSS B.V.; HUISMAN, Ines; VAN DER STELT, Marcelis; WIEDENHOF, Wouter; BAKER-GLENN, Charles, Anthony, Graham; BLACKABY, Wesley, Peter; TRIVEDI, Naimisha Patent: WO2013/41457 A1, 2013 ; Location in patent: Page/Page column 22 ;
  • Route2

    References

    • WO2013/41457 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.8392
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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