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CS-W001157 4
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4-Formyl-3-hydroxybenzonitrile

  • CAS No. 84102-89-6

  • Cat. No. CS-0130355
  • Purity≥98%
  • MDL No.None

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

4-Formyl-3-hydroxybenzonitrile|CS-0130355

Structure of 84102-89-6

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General Information

  • CAS No. 84102-89-6
  • Cat. No. CS-0130355
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₂
  • Molecular Weight 147.13
  • Synonym(s) Benzonitrile, 4-formyl-3-hydroxy- (9CI)
  • SMILES N#CC1=CC=C(C(O)=C1)C=O

Description

4-Formyl-3-hydroxybenzonitrile features a conjugated triad of formyl, hydroxyl, and nitrile groups on a benzene scaffold, enabling diverse synthetic transformations. This electron-deficient aromatic core integrates readily into complex molecular architectures, particularly in medicinal chemistry scaffolds and functional materials.

Application

4-Formyl-3-hydroxybenzonitrile serves as a versatile bifunctional building block in medicinal chemistry and materials synthesis. The ortho-hydroxynitrile and aldehyde groups enable sequential functionalization, including reductive amination, condensation reactions, and cyclizations. Its bench-stable nature and compatibility with standard protecting group strategies facilitate efficient access to complex heterocyclic scaffolds and bioactive molecules.

Synthesis

  • Route1

    References

    • US2010/305052 A1, ; Page/Page column 20-21 ;
  • Route2

    References

    • US5863947 A1, ;
  • Route3
    • null|null
      84102-88-5
    • ~63%
    • In-stock
      4-Formyl-3-hydroxybenzonitrile|CS-0130355
      84102-89-6

    References

    • Liebigs Annalen der Chemie, , # 10 p. 1836 - 1869

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   61.09
  • LogP   1.07638
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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