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CS-W001157 4
Total: USD 88.00

4-Phenylpyrimidine

  • CAS No. 3438-48-0

  • Cat. No. CS-0060519
  • Purity≥98%
  • MDL No.None

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

4-Phenylpyrimidine|CS-0060519

Structure of 3438-48-0

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General Information

  • CAS No. 3438-48-0
  • Cat. No. CS-0060519
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂
  • Molecular Weight 156.18
  • Synonym(s) PYRIMIDINE,4-PHENYL
  • SMILES C1=CC=C(C=C1)C2=NC=NC=C2

Description

4-Phenylpyrimidine serves as a core scaffold in medicinal chemistry, offering a rigid, electron-deficient heterocyclic framework that enhances target binding affinity. This compound integrates readily into kinase inhibitors and other bioactive molecules due to its planar geometry and favorable π-stacking interactions. The phenyl group contributes to hydrophobic engagement within protein pockets, while the pyrimidine nitrogen atoms enable hydrogen bonding. Bench-stable and moisture-tolerant, it facilitates straightforward handling in synthetic workflows.

Application

4-Phenylpyrimidine serves as a versatile building block in medicinal chemistry and materials science, enabling the construction of heterocyclic scaffolds with defined electronic properties. Its stability under standard reaction conditions and compatibility with palladium-catalyzed cross-coupling reactions facilitate efficient functionalization at the phenyl ring. The pyrimidine core provides a robust platform for further derivatization, making it a valuable intermediate in the synthesis of kinase inhibitors and organic semiconductors.

Synthesis

  • Route1
    • null|null
      17180-93-7
    • In-stock
      Phenylboronic acid|CS-W001090
      98-80-6
    • ~92%
    • In-stock
      4-Phenylpyrimidine|CS-0060519
      3438-48-0

    References

    • Lee, Dong-Hwan; Jung, Ji-Young; Jin, Myung-Jong Green Chemistry, 2010 , vol. 12, # 11 p. 2024 - 2029
  • Route2
    • null|null
      17180-93-7
    • null|null
      960-16-7
    • ~91%
    • In-stock
      4-Phenylpyrimidine|CS-0060519
      3438-48-0

    References

    • Lee, Dong-Hwan; Jung, Ji-Young; Jin, Myung-Jong Green Chemistry, 2010 , vol. 12, # 11 p. 2024 - 2029
  • Route3
    • In-stock
      Acetophenone|CS-0015982
      98-86-2
    • 3-Methyl-5-nitropyrimidin-4(3H)-one|CS-1158406
      17758-33-7
    • ~22%
    • In-stock
      4-Phenylpyrimidine|CS-0060519
      3438-48-0
    • null|null
      39258-93-0

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 1 p. 27 - 32

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-H319
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   25.78
  • LogP   2.1436
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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