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CS-W001157 4
Total: USD 88.00

1-(4,5-Dimethoxy-2-nitrophenyl)ethanone

  • CAS No. 4101-32-0

  • Cat. No. CS-0036551
  • Purity≥96%
  • MDL No.MFCD00130048

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

1-(4,5-Dimethoxy-2-nitrophenyl)ethanone|CS-0036551

Structure of 4101-32-0

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General Information

  • CAS No. 4101-32-0
  • Cat. No. CS-0036551
  • Purity ≥96%
  • MDL No. MFCD00130048
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₅
  • Molecular Weight 225.20
  • Synonym(s) None
  • SMILES CC(=O)C1=C(C=C(C(=C1)OC)OC)[N+](=O)[O-]

Description

1-(4,5-Dimethoxy-2-nitrophenyl)ethanone features a nitro-substituted aromatic core flanked by two methoxy groups, enhancing electron density and solubility. This bench-stable ketone integrates readily into synthetic sequences requiring polar, electron-rich aryl electrophiles, enabling efficient coupling in transition-metal-catalyzed transformations.

Application

1-(4,5-Dimethoxy-2-nitrophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling the synthesis of nitro-substituted heterocycles and aromatic pharmacophores. The ortho-nitro group facilitates subsequent reduction and cyclization reactions, while the dimethoxy substitution pattern enhances solubility and modulates reactivity. Bench-stable and compatible with standard functional group manipulations, it functions effectively in multi-step synthetic sequences for API intermediate 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

Quality Control

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   1.8146
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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