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CS-W001157 4
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Methyl 2-(2-nitrophenyl)acetate

  • CAS No. 30095-98-8

  • Cat. No. CS-W002717
  • Purity≥98%
  • MDL No.MFCD00968465

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

Methyl 2-(2-nitrophenyl)acetate|CS-W002717

Structure of 30095-98-8

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General Information

  • CAS No. 30095-98-8
  • Cat. No. CS-W002717
  • Purity ≥98%
  • MDL No. MFCD00968465
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) METHYL (2-NITRO-PHENYL)-ACETATE
  • SMILES COC(=O)Cc1ccccc1[N+](=O)[O-]

Description

Methyl 2-(2-nitrophenyl)acetate is a bench-stable, moisture-tolerant ester featuring a nitro-substituted aryl group. This compound integrates readily into transition-metal-catalyzed coupling reactions and serves as a key intermediate in the synthesis of bioactive heterocycles and functionalized aromatic systems.

Application

Methyl 2-(2-nitrophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to biologically relevant heterocycles. Its ortho-nitroaryl functionality facilitates regioselective transformations, including cyclizations and reductions, while the ester group offers compatibility with standard functional group interconversions. Bench-stable and readily purified by distillation or chromatography, it functions effectively in multi-step syntheses for pharmaceutical intermediates and agrochemical scaffolds.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2-(2-Nitrophenyl)acetic acid|CS-W019512
      3740-52-1
    • ~99%
    • In-stock
      Methyl 2-(2-nitrophenyl)acetate|CS-W002717
      30095-98-8

    References

    • Liu, Bin; Hu, Longqin Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 18 p. 3889 - 3899
  • Route2
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • In-stock
      1-(Bromomethyl)-2-nitrobenzene|CS-W002026
      3958-60-9
    • ~98%
    • In-stock
      Methyl 2-(2-nitrophenyl)acetate|CS-W002717
      30095-98-8

    References

    • HERIOT-WATT UNIVERSITY Patent: WO2006/10885 A1, 2006 ; Location in patent: Page/Page column 32 ;
  • Route3

    References

    • Microcide Pharmaceuticals, Inc.; DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1227084 A1, 2002 ;

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   69.44
  • LogP   1.3103
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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