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CS-W001157 4
Total: USD 88.00

4-Chloro-6-(2,2,2-trifluoroethoxy)pyrimidine

  • CAS No. 155957-47-4

  • Cat. No. CS-0160847
  • Purity≥98%
  • MDL No.MFCD14611084

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

4-Chloro-6-(2,2,2-trifluoroethoxy)pyrimidine|CS-0160847

Structure of 155957-47-4

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General Information

  • CAS No. 155957-47-4
  • Cat. No. CS-0160847
  • Purity ≥98%
  • MDL No. MFCD14611084
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClF₃N₂O
  • Molecular Weight 212.56
  • Synonym(s) None
  • SMILES FC(F)(F)COC1=CC(Cl)=NC=N1

Description

4-Chloro-6-(2,2,2-trifluoroethoxy)pyrimidine is a fluorinated heterocyclic building block featuring a chlorine substituent at C4 and a trifluoroethoxy group at C6. This combination imparts enhanced metabolic stability and lipophilicity, enabling efficient incorporation into bioactive molecules for medicinal chemistry applications. The molecule exhibits bench-stable handling characteristics and compatibility with diverse synthetic transformations.

Application

4-Chloro-6-(2,2,2-trifluoroethoxy)pyrimidine serves as a versatile building block in medicinal chemistry, enabling the construction of pyrimidine-based scaffolds through palladium-catalyzed cross-coupling reactions. The chloro group facilitates Suzuki, Stille, and Buchwald–Hartwig couplings, while the trifluoroethoxy substituent enhances metabolic stability and modulates lipophilicity. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for iterative synthesis campaigns in API development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.01
  • LogP   2.0711
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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