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CS-W001157 4
Total: USD 88.00

2-Chloro-5-(trifluoromethyl)pyrimidine

  • CAS No. 69034-12-4

  • Cat. No. CS-W008510
  • Molecule weight182.53
  • Purity≥98%
  • MDL No.MFCD09753482

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

2-Chloro-5-(trifluoromethyl)pyrimidine|CS-W008510

Structure of 69034-12-4

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General Information

  • CAS No. 69034-12-4
  • Cat. No. CS-W008510
  • Purity ≥98%
  • MDL No. MFCD09753482
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂ClF₃N₂
  • Molecular Weight 182.53
  • Synonym(s) None
  • SMILES FC(F)(F)C1=CN=C(Cl)N=C1

Description

2-Chloro-5-(trifluoromethyl)pyrimidine serves as a key heterocyclic building block in medicinal chemistry and agrochemical synthesis. Its electron-deficient pyrimidine core, combined with the strong inductive effect of the trifluoromethyl group, enables efficient coupling reactions. This compound exhibits excellent stability under standard conditions and facilitates the construction of complex nitrogen-containing architectures.

Application

2-Chloro-5-(trifluoromethyl)pyrimidine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient C–N and C–C coupling reactions. Its electron-deficient pyrimidine core exhibits excellent stability and compatibility with palladium-catalyzed cross-coupling protocols. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the chloro substituent provides a reliable handle for nucleophilic substitution under mild conditions. This compound functions effectively in the construction of heterocyclic scaffolds relevant to drug discovery programs.

Synthesis

  • Route1
    • null|null
      69034-11-3
    • ~50%
    • In-stock
      2-Chloro-5-(trifluoromethyl)pyrimidine|CS-W008510
      69034-12-4

    References

    • Benneche, Tore; Undheim, Kjell Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1984 , vol. 38, # 6 p. 505 - 508
  • Route2
    • null|null
      3932-97-6
    • ~%
    • In-stock
      2-Chloro-5-(trifluoromethyl)pyrimidine|CS-W008510
      69034-12-4

    References

    • WO2009/150240 A1, ; Page/Page column 132 ; WO 2009/150240 A1
  • Route3
    • null|null
      7783-56-4
    • null|null
      87-69-4
    • null|null
      69034-11-3
    • ~%
    • In-stock
      2-Chloro-5-(trifluoromethyl)pyrimidine|CS-W008510
      69034-12-4

    References

    • US4248618 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.1488
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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