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CS-W001157 4
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1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethan-1-one

  • CAS No. 1367970-52-2

  • Cat. No. CS-0095466
  • Purity≥98%
  • MDL No.MFCD22062627

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

1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethan-1-one|CS-0095466

Structure of 1367970-52-2

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General Information

  • CAS No. 1367970-52-2
  • Cat. No. CS-0095466
  • Purity ≥98%
  • MDL No. MFCD22062627
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃N₂O
  • Molecular Weight 190.12
  • Synonym(s) 1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethanone
  • SMILES CC(C1=CN=C(C(F)(F)F)N=C1)=O

Description

This trifluoromethyl-substituted pyrimidinone integrates a reactive ketone group and electron-deficient heterocyclic core, enabling direct incorporation into medicinal chemistry scaffolds. The trifluoromethyl moiety enhances metabolic stability and membrane permeability, while the bench-stable ketone facilitates nucleophilic addition or reductive functionalization under standard conditions.

Application

1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its trifluoromethyl group enhances metabolic stability and modulates electronic properties, while the acetyl functionality facilitates nucleophilic substitution and coupling reactions. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for use in multi-step synthesis and API development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302-H315-H319-H335
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   42.85
  • LogP   1.698
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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