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CS-W001157 4
Total: USD 88.00

Methyl 2-(4-nitrophenyl)acetate

  • CAS No. 2945-08-6

  • Cat. No. CS-0038574
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(4-nitrophenyl)acetate|CS-0038574

Structure of 2945-08-6

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General Information

  • CAS No. 2945-08-6
  • Cat. No. CS-0038574
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) Methylp-nitrophenylacetate
  • SMILES COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Description

Methyl 2-(4-nitrophenyl)acetate is a bench-stable, moisture-tolerant ester featuring a para-nitro-substituted phenyl ring that imparts strong electron-withdrawing character. This structural motif enables efficient incorporation into cross-coupling reactions and serves as a key intermediate in the synthesis of functionalized aryl compounds.

Application

Methyl 2-(4-nitrophenyl)acetate serves as a versatile synthetic intermediate for the construction of substituted benzene derivatives and heterocyclic scaffolds. Its nitro group enables electrophilic substitution and subsequent reduction to an amino functionality, while the ester moiety supports nucleophilic acyl substitution and cross-coupling reactions. Bench-stable and readily purified by column chromatography, it functions effectively in standard organic transformations.

Synthesis

  • Route1
    • null|null
      67-56-1
    • 4-Nitrobenzeneacetic acid Indobufen  Impurity|CS-0229459
      104-03-0
    • ~99%
    • In-stock
      Methyl 2-(4-nitrophenyl)acetate|CS-0038574
      2945-08-6

    References

    • Pour, Milan; Spulak, Marcel; Balsanek, Vojtech; Kunes, Jiri; Kubanova, Petra; Buchta, Vladimir Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 13 p. 2843 - 2866
  • Route2

    References

    • Hoffman-La Roche Inc. Patent: US6610846 B1, 2003 ; US 6610846 B1
  • Route3
    • null|null
      96-32-2
    • null|null
      100-01-6
    • ~88%
    • In-stock
      Methyl 2-(4-nitrophenyl)acetate|CS-0038574
      2945-08-6

    References

    • LUPIN LIMITED Patent: WO2009/109999 A1, 2009 ; Location in patent: Page/Page column 78 ; WO 2009/109999 A1

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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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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