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CS-W001157 4
Total: USD 88.00

4-(Pyrimidin-2-yl)benzaldehyde

  • CAS No. 77232-38-3

  • Cat. No. CS-0019311
  • Molecule weight184.19
  • Purity≥98%
  • MDL No.MFCD08056282

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

4-(Pyrimidin-2-yl)benzaldehyde|CS-0019311

Structure of 77232-38-3

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General Information

  • CAS No. 77232-38-3
  • Cat. No. CS-0019311
  • Purity ≥98%
  • MDL No. MFCD08056282
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈N₂O
  • Molecular Weight 184.19
  • Synonym(s) 2-(4-Formylphenyl)pyrimidine, 2-(4-Formylphenyl)-1,3-diazine
  • SMILES O=CC1=CC=C(C2=NC=CC=N2)C=C1

Description

4-(Pyrimidin-2-yl)benzaldehyde features a conjugated aryl-aldehyde system bridging a pyrimidine ring and a phenyl moiety, enabling efficient integration into heterocyclic scaffolds. This electron-deficient aldehyde serves as a key building block in medicinal chemistry for constructing bioactive molecules via condensation reactions.

Application

4-(Pyrimidin-2-yl)benzaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant heterocyclic scaffolds. Its dual functionality—aryl aldehyde and pyrimidine ring—facilitates diverse transformations including Suzuki-Miyaura coupling, condensation reactions, and transition-metal-catalyzed cross-couplings. The compound exhibits excellent bench stability and is readily purified by chromatography or recrystallization, supporting scalable synthesis and integration into multi-step sequences for target-oriented discovery.

Synthesis

  • Route1

    References

    • WO2004/65394 A1, ; Page 49 ; WO 2004/065394 A1
  • Route2
    • null|null
      77232-37-2
    • ~66%
    • In-stock
      4-(Pyrimidin-2-yl)benzaldehyde|CS-0019311
      77232-38-3

    References

    • Burdeska, Kurt; Fuhrer, Hermann; Kabas, Guglielmo; Siegrist, Adolf Emil Helvetica Chimica Acta, 1981 , vol. 64, # 1 p. 113 - 152
  • Route3

    References

    • Helvetica Chimica Acta, , vol. 64, # 1 p. 113 - 152

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   1.9561
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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