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CS-W001157 4
Total: USD 88.00

5-Ethynyl-2-methylpyrimidine

  • CAS No. 1196153-50-0

  • Cat. No. CS-0609702
  • Purity≥98%
  • MDL No.None

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

5-Ethynyl-2-methylpyrimidine|CS-0609702

Structure of 1196153-50-0

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General Information

  • CAS No. 1196153-50-0
  • Cat. No. CS-0609702
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂
  • Molecular Weight 118.14
  • Synonym(s) None
  • SMILES CC1=NC=C(C#C)C=N1

Description

5-Ethynyl-2-methylpyrimidine delivers a reactive alkyne handle for click chemistry applications, integrated within a stable pyrimidine scaffold. The methyl group enhances electron density at the ring, while the terminal alkyne enables efficient copper-catalyzed coupling. This compound serves as a modular building block in medicinal chemistry and materials science.

Application

5-Ethynyl-2-methylpyrimidine serves as a versatile building block for constructing functionalized pyrimidine scaffolds via palladium-catalyzed coupling reactions. Its terminal alkyne group enables efficient Sonogashira and click-type conjugations, while the methyl-substituted pyrimidine core provides enhanced stability and compatibility with diverse reaction conditions. Ideal for medicinal chemistry campaigns requiring modular heterocycle assembly, this compound offers straightforward purification and robust bench stability.

Synthesis

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      5-Ethynyl-2-methylpyrimidine|CS-0609702
      1196153-50-0

    References

    • WO2010/36998 A2, ; Page/Page column 138 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   0.76632
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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