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CS-W001157 4
Total: USD 88.00

1-(4-Hydroxy-3-nitrophenyl)ethan-1-one

  • CAS No. 6322-56-1

  • Cat. No. CS-W017168
  • Purity≥98%
  • MDL No.MFCD00017002

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

1-(4-Hydroxy-3-nitrophenyl)ethan-1-one|CS-W017168

Structure of 6322-56-1

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General Information

  • CAS No. 6322-56-1
  • Cat. No. CS-W017168
  • Purity ≥98%
  • MDL No. MFCD00017002
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄
  • Molecular Weight 181.15
  • Synonym(s) Ethanone, 1-(4-hydroxy-3-nitrophenyl)-
  • SMILES CC(C1=CC=C(O)C([N+]([O-])=O)=C1)=O

Description

Inhibitor of papain and trypsin

Application

1-(4-Hydroxy-3-nitrophenyl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and functionalized aromatics. Its ortho-dinitro substitution pattern facilitates controlled electrophilic and nucleophilic transformations, while the ketone and phenolic hydroxyl groups offer sites for derivatization. Bench-stable and compatible with standard purification methods, it functions reliably in coupling reactions and cyclization protocols essential to API development.

Synthesis

  • Route1
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • ~99%
    • In-stock
      1-(4-Hydroxy-3-nitrophenyl)ethan-1-one|CS-W017168
      6322-56-1

    References

    • Firouzabadi; Iranpoor; Zolfigol Synthetic Communications, 1997 , vol. 27, # 19 p. 3301 - 3311
  • Route2
    • 2-Nitrophenyl acetate|CS-0199181
      610-69-5
    • ~%
    • In-stock
      1-(4-Hydroxy-3-nitrophenyl)ethan-1-one|CS-W017168
      6322-56-1

    References

    • Journal of the American Chemical Society, , vol. 76, p. 4993
  • Route3
    • null|null
      75-36-5
    • null|null
      88-75-5
    • ~%
    • In-stock
      1-(4-Hydroxy-3-nitrophenyl)ethan-1-one|CS-W017168
      6322-56-1

    References

    • Journal of the American Chemical Society, , vol. 68, p. 872

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.503
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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