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CS-W001157 4
Total: USD 88.00

2-(Trifluoromethyl)pyrimidine-5-carboxylic acid

  • CAS No. 306960-77-0

  • Cat. No. CS-W015828
  • Purity≥98%
  • MDL No.MFCD09054851

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

2-(Trifluoromethyl)pyrimidine-5-carboxylic acid|CS-W015828

Structure of 306960-77-0

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General Information

  • CAS No. 306960-77-0
  • Cat. No. CS-W015828
  • Purity ≥98%
  • MDL No. MFCD09054851
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃F₃N₂O₂
  • Molecular Weight 192.10
  • Synonym(s) 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-
  • SMILES O=C(C1=CN=C(C(F)(F)F)N=C1)O

Description

This trifluoromethyl-substituted pyrimidine carboxylic acid features a strongly electron-deficient heterocyclic core paired with a reactive carboxylic acid handle, enabling direct coupling in amide bond formation. The para-trifluoromethyl group enhances metabolic stability and modulates electronic properties for applications in medicinal chemistry and agrochemical design.

Application

2-(Trifluoromethyl)pyrimidine-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and functionalization reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid facilitates direct derivatization or amide formation. The molecule exhibits good bench stability and compatibility with common reaction conditions, making it suitable for iterative synthesis campaigns in API development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   1.1936
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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