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

  • CAS No. 31912-02-4

  • Cat. No. CS-0042739
  • Purity≥98%
  • MDL No.MFCD00092226

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

Ethyl 2-(2-nitrophenyl)acetate|CS-0042739

Structure of 31912-02-4

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General Information

  • CAS No. 31912-02-4
  • Cat. No. CS-0042739
  • Purity ≥98%
  • MDL No. MFCD00092226
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₄
  • Molecular Weight 209.20
  • Synonym(s) Ethyl 2-nitrophenylacetate
  • SMILES O=C(OCC)CC1=CC=CC=C1[N+]([O-])=O

Description

Ethyl 2-(2-nitrophenyl)acetate is a bench-stable, moisture-tolerant reagent featuring a nitro-substituted aryl moiety that enables direct functionalization in transition-metal-catalyzed coupling processes. This electron-deficient ester integrates readily into synthetic sequences requiring ortho-activated aromatic systems, offering predictable regioselectivity and compatibility with standard reaction conditions.

Application

Ethyl 2-(2-nitrophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to biologically relevant heterocyclic scaffolds. Its ortho-nitroaryl group facilitates directed ortho-metalation and participates in reductive cyclizations, while the ester function supports standard transformations including hydrolysis, reduction, and coupling reactions. The compound exhibits good bench stability and is readily purified by distillation or column chromatography, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

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   1.7004
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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