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CS-W001157 4
Total: USD 88.00

4-Chloro-2-(trifluoromethyl)pyrimidine

  • CAS No. 1514-96-1

  • Cat. No. CS-0043158
  • Purity≥98%
  • MDL No.MFCD06411632

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

4-Chloro-2-(trifluoromethyl)pyrimidine|CS-0043158

Structure of 1514-96-1

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General Information

  • CAS No. 1514-96-1
  • Cat. No. CS-0043158
  • Purity ≥98%
  • MDL No. MFCD06411632
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂ClF₃N₂
  • Molecular Weight 182.53
  • Synonym(s) IFLAB-BB F2124-0818
  • SMILES FC(F)(F)C1=NC(Cl)=CC=N1

Description

4-Chloro-2-(trifluoromethyl)pyrimidine serves as a pivotal heterocyclic scaffold in medicinal chemistry, featuring a chlorine atom at C4 and a trifluoromethyl group at C2. This combination imparts enhanced metabolic stability and favorable lipophilicity, enabling efficient incorporation into kinase inhibitors and antiviral agents. The electron-deficient pyrimidine ring facilitates nucleophilic substitution reactions under mild conditions, streamlining downstream functionalization.

Application

4-Chloro-2-(trifluoromethyl)pyrimidine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient C–N and C–C coupling reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the chloropyrimidine moiety facilitates nucleophilic substitution under mild conditions. The compound exhibits excellent bench stability and compatibility with diverse functional groups, making it ideal for constructing heterocyclic scaffolds in drug discovery workflows.

Synthesis

  • Route1

    References

    • BAYER PHARMACEUTICALS CORPORATION Patent: WO2006/99231 A1, 2006 ; Location in patent: Page/Page column 89 ;

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-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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