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CS-W001157 4
Total: USD 88.00

5-Bromo-2-(trifluoromethyl)-Pyrimidine

  • CAS No. 799557-86-1

  • Cat. No. CS-D0473
  • Molecule weight226.98
  • Purity≥97%
  • MDL No.MFCD09754046

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

5-Bromo-2-(trifluoromethyl)-Pyrimidine|CS-D0473

Structure of 799557-86-1

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General Information

  • CAS No. 799557-86-1
  • Cat. No. CS-D0473
  • Purity ≥97%
  • MDL No. MFCD09754046
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂BrF₃N₂
  • Molecular Weight 226.98
  • Synonym(s) 5-Bromo-2-(trifluoromethyl)pyrimidine
  • SMILES FC(C1=NC=C(Br)C=N1)(F)F

Description

5-Bromo-2-(trifluoromethyl)pyrimidine features a trifluoromethyl group that imparts strong electron-withdrawing character, enhancing reactivity in cross-coupling processes. The bromine substituent enables direct functionalization via palladium-catalyzed reactions. This compound serves as a key building block in medicinal chemistry and agrochemical synthesis.

Application

5-Bromo-2-(trifluoromethyl)pyrimidine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions with high efficiency. The bromine at C5 provides a reliable site for Suzuki, Stille, or Negishi coupling, while the trifluoromethyl group enhances metabolic stability and modulates lipophilicity. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for multi-step synthesis of complex heterocyclic scaffolds.

Synthesis

  • Route1

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/136442 A1, 2006 ; Location in patent: Page/Page column 92-93 ; WO 2006/136442 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.2579
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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