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CS-W001157 4
Total: USD 88.00

4-Pyrimidinol

  • CAS No. 51953-18-5

  • Cat. No. CS-0019949
  • Purity≥98%
  • MDL No.MFCD00006664

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

4-Pyrimidinol|CS-0019949

Structure of 51953-18-5

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General Information

  • CAS No. 51953-18-5
  • Cat. No. CS-0019949
  • Purity ≥98%
  • MDL No. MFCD00006664
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₂O
  • Molecular Weight 96.09
  • Synonym(s) Pyrimidin-4-ol Discontinued see older entry for P997355.
  • SMILES OC1=NC=NC=C1

Description

4-Pyrimidinol delivers a versatile heterocyclic scaffold with enhanced solubility and stability under standard conditions. This nitrogen-rich core integrates readily into medicinal chemistry campaigns, offering a robust platform for synthesizing kinase inhibitors and nucleoside analogs. The hydroxyl group enables direct functionalization or hydrogen bonding interactions in target binding.

Application

4-Pyrimidinol serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrimidine-based heterocycles through direct functionalization at the C4 position. Its stability and compatibility with common coupling reactions facilitate efficient access to pharmaceutically relevant scaffolds. The hydroxyl group provides a handle for derivatization, enhancing utility in target-oriented synthesis.

Synthesis

  • Route1

    References

    • BAYER CROPSCIENCE AKTIENGESELLSCHAFT Patent: WO2004/113342 A1, 2004 ; Location in patent: Page/Page column 50 ;
  • Route2
    • null|null
      143746-37-6
    • ~44%
    • In-stock
      4-Pyrimidinol|CS-0019949
      51953-18-5
    • null|null
      143746-38-7

    References

    • Press, Jeffery B.; McNally, James J.; Hajos, Zoltan G.; Sawyers, Rebecca A. Journal of Organic Chemistry, 1992 , vol. 57, # 23 p. 6335 - 6339
  • Route3

    References

    • Matsui; Kamiya; Kawamura; Shibata; Muramatsu Bulletin of the Chemical Society of Japan, 1989 , vol. 62, # 9 p. 2939 - 2941

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   46.01
  • LogP   0.1822
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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