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CS-W001157 4
Total: USD 88.00

Ethyl 2-(3-nitrophenyl)acetate

  • CAS No. 14318-64-0

  • Cat. No. CS-0151605
  • Purity≥98%
  • MDL No.MFCD09953138

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

Ethyl 2-(3-nitrophenyl)acetate|CS-0151605

Structure of 14318-64-0

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General Information

  • CAS No. 14318-64-0
  • Cat. No. CS-0151605
  • Purity ≥98%
  • MDL No. MFCD09953138
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₄
  • Molecular Weight 209.20
  • Synonym(s) Ethyl 3-nitrophenylacetate
  • SMILES CCOC(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

Description

Ethyl 2-(3-nitrophenyl)acetate is a bench-stable, moisture-tolerant ester featuring a para-nitro-substituted phenyl ring that enables efficient coupling in cross-coupling and condensation reactions. This electron-deficient aryl moiety integrates readily into complex molecular architectures, delivering high functional group compatibility under standard conditions.

Application

Ethyl 2-(3-nitrophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted phenylacetic acid derivatives. Its nitro group facilitates subsequent transformations such as reduction to an amino function or participation in coupling reactions. The ester moiety offers orthogonal reactivity, allowing selective manipulation under standard conditions. Bench-stable and readily purified by distillation or chromatography, it functions effectively in the synthesis of pharmaceutical intermediates and functionalized heterocycles.

Synthesis

  • Route1
    • null|null
      585-79-5
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      3-Ethoxy-3-oxopropanoic acid potassium|CS-D1444
      6148-64-7
    • ~60%
    • In-stock
      Ethyl 2-(3-nitrophenyl)acetate|CS-0151605
      14318-64-0

    References

    • Feng, Yi-Si; Wu, Wei; Xu, Zhong-Qiu; Li, Yan; Li, Ming; Xu, Hua-Jian Tetrahedron, 2012 , vol. 68, # 9 p. 2113 - 2120
  • Route2
    • In-stock
      3-Nitrophenylboronic acid|CS-W007413
      13331-27-6
    • null|null
      105-36-2
    • ~39%
    • In-stock
      Ethyl 2-(3-nitrophenyl)acetate|CS-0151605
      14318-64-0

    References

    • Goossen Chemical Communications, 2001 , # 7 p. 669 - 670
  • Route3

    References

    • Hoffmann-La Roche Inc. Patent: US6150373 A1, 2000 ; US 6150373 A

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

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.7004
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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