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CS-W001157 4
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Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

  • CAS No. 187035-79-6

  • Cat. No. CS-W005314
  • Purity≥98%
  • MDL No.MFCD01312372

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

Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate|CS-W005314

Structure of 187035-79-6

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General Information

  • CAS No. 187035-79-6
  • Cat. No. CS-W005314
  • Purity ≥98%
  • MDL No. MFCD01312372
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClF₃N₂O₂
  • Molecular Weight 254.59
  • Synonym(s) Ethyl 2-chloro-4-(trifluoromethyl)pyrimidne-5-carboxylate
  • SMILES CCOC(=O)C1=C(N=C(Cl)N=C1)C(F)(F)F

Description

Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability. The chloro substituent enables selective nucleophilic substitution, while the ester functionality supports further derivatization. This bench-stable building block integrates efficiently into pharmaceutical scaffolds requiring heterocyclic core diversity.

Application

Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of pyrimidine-based scaffolds. The chloro group at C2 facilitates nucleophilic substitution, while the trifluoromethyl and ester functionalities offer enhanced metabolic stability and synthetic handle for further derivatization. Its bench-stable nature and compatibility with standard coupling reactions make it well-suited for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Journal of medicinal chemistry, , vol. 43, # 21 p. 3995 - 4004
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 18 p. 2573 - 2577
  • Route3
    • null|null
      372-31-6
    • ~%
    • In-stock
      Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate|CS-W005314
      187035-79-6

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 18 p. 2573 - 2577

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   52.08
  • LogP   2.3255
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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