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CS-W001157 4
Total: USD 88.00

2-(Trifluoromethyl)pyrimidine-5-carbaldehyde

  • CAS No. 304693-66-1

  • Cat. No. CS-W019660
  • Purity≥96%
  • MDL No.MFCD08752498

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

2-(Trifluoromethyl)pyrimidine-5-carbaldehyde|CS-W019660

Structure of 304693-66-1

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General Information

  • CAS No. 304693-66-1
  • Cat. No. CS-W019660
  • Purity ≥96%
  • MDL No. MFCD08752498
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃F₃N₂O
  • Molecular Weight 176.10
  • Synonym(s) 5-pyrimidinecarboxaldehyde, 2-(trifluoromethyl)-
  • SMILES O=CC1=CN=C(C(F)(F)F)N=C1

Description

2-(Trifluoromethyl)pyrimidine-5-carbaldehyde features a trifluoromethyl group at the 2-position and a formyl group at the 5-position on a pyrimidine core. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds, offering enhanced metabolic stability and favorable lipophilicity for target engagement.

Application

2-(Trifluoromethyl)pyrimidine-5-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard functional group transformations. Its electrophilic aldehyde moiety facilitates nucleophilic additions and condensations, while the electron-deficient trifluoromethylpyrimidine core enhances metabolic stability and modulates physicochemical properties. The compound exhibits excellent bench stability and compatibility with common reaction conditions, supporting efficient synthesis of pharmaceutical intermediates and API candidates.

Synthesis

  • Route1

    References

    • SmithKline Beecham p.l.c. Patent: US2004/167142 A1, 2004 ; Location in patent: Page/Page column 23;24 ;
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 1 p. 51 - 55
  • Route3
    • Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate|CS-0041701
      343-67-9
    • ~%
    • In-stock
      2-(Trifluoromethyl)pyrimidine-5-carbaldehyde|CS-W019660
      304693-66-1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 1 p. 51 - 55

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   42.85
  • LogP   1.3079
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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