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CS-W001157 4
Total: USD 88.00

1-(4-Hydroxy-5-methoxy-2-nitrophenyl)ethanone

  • CAS No. 418759-58-7

  • Cat. No. CS-0186256
  • Purity≥98%
  • MDL No.None

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

1-(4-Hydroxy-5-methoxy-2-nitrophenyl)ethanone|CS-0186256

Structure of 418759-58-7

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General Information

  • CAS No. 418759-58-7
  • Cat. No. CS-0186256
  • Purity ≥98%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) None
  • SMILES CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])O)OC

Description

1-(4-Hydroxy-5-methoxy-2-nitrophenyl)ethanone features a nitro-substituted aromatic core with complementary hydroxyl and methoxy functionalities, enabling direct integration into complex synthetic sequences. The ketone moiety offers a reactive handle for nucleophilic transformations, while the electron-withdrawing nitro group enhances regioselectivity in subsequent coupling reactions. This compound serves as a valuable scaffold for pharmaceutical intermediates and functionalized dyes.

Application

1-(4-Hydroxy-5-methoxy-2-nitrophenyl)ethanone serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted nitroarenes and heterocyclic scaffolds. Its hydroxyl and methoxy groups provide orthogonal functionalization sites, while the ketone moiety facilitates nucleophilic addition and condensation reactions. The molecule exhibits good bench stability and is compatible with standard purification protocols, making it suitable for iterative synthesis workflows in medicinal chemistry and materials development.

Safety Information

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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   89.67
  • LogP   1.5116
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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