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CS-W001157 4
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1-(Pyrimidin-5-yl)ethanone

  • CAS No. 10325-70-9

  • Cat. No. CS-D0295
  • Purity≥97%
  • MDL No.MFCD09038477

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

1-(Pyrimidin-5-yl)ethanone|CS-D0295

Structure of 10325-70-9

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General Information

  • CAS No. 10325-70-9
  • Cat. No. CS-D0295
  • Purity ≥97%
  • MDL No. MFCD09038477
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O
  • Molecular Weight 122.12
  • Synonym(s) Ethanone, 1-(5-pyrimidinyl)-
  • SMILES CC(C1=CN=CN=C1)=O

Description

1-(Pyrimidin-5-yl)ethanone features a pyrimidine ring fused to an acetyl group, delivering a robust scaffold for medicinal chemistry. This electron-deficient heterocycle integrates readily into target molecules, enabling efficient access to bioactive compounds through nucleophilic substitution and cross-coupling reactions under standard conditions.

Application

1-(Pyrimidin-5-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the pyrimidine ring and facile derivatization via enolization or nucleophilic substitution. Its ketone functionality provides a handle for reductive amination, Grignard addition, and transition-metal-catalyzed coupling reactions. The molecule exhibits good bench stability, simple purification by recrystallization, and compatibility with common protecting group strategies, making it a practical scaffold for heterocyclic compound synthesis.

Synthesis

  • Route1

    References

    • EP2385035 A1, ; Page/Page column 18-19 ;
  • Route2

    References

    • Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 17, # 7 p. 710 - 714 Khimiya Geterotsiklicheskikh Soedinenii, , # 7 p. 958 - 962
  • Route3

    References

    • Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 17, # 7 p. 710 - 714 Khimiya Geterotsiklicheskikh Soedinenii, , # 7 p. 958 - 962

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

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Computational Chemistry Data

  • TPSA   42.85
  • LogP   0.6792
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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