Cas no 13212-56-1 (Ethyl 2-(2-nitrophenoxy)propanoate)

Ethyl 2-(2-nitrophenoxy)propanoate is a specialized ester compound featuring a nitro-substituted phenoxy group, which imparts unique reactivity and utility in organic synthesis. Its structure combines an ethyl ester moiety with a 2-nitrophenoxy group, making it valuable as an intermediate in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The nitro group enhances electrophilic properties, facilitating further functionalization via reduction or substitution reactions. The compound’s ester functionality also allows for versatile transformations, such as hydrolysis or transesterification. Its stability under standard conditions and well-defined reactivity profile make it a reliable choice for synthetic applications requiring precise control over molecular architecture.
Ethyl 2-(2-nitrophenoxy)propanoate structure
13212-56-1 structure
Product Name:Ethyl 2-(2-nitrophenoxy)propanoate
CAS No:13212-56-1
MF:C11H13NO5
MW:239.224623441696
MDL:MFCD00024209
CID:236871
PubChem ID:292529
Update Time:2025-06-08

Ethyl 2-(2-nitrophenoxy)propanoate Chemical and Physical Properties

Names and Identifiers

    • Propanoicacid, 2-(2-nitrophenoxy)-, ethyl ester
    • 2-(2-NITRO-PHENOXY)-PROPIONIC ACID ETHYL ESTER
    • ethyl 2-(2-nitrophenoxy)propanoate
    • 2-(2-Nitro-phenoxy)-propionsaeure-aethylester
    • AC1L6I70
    • AC1Q2076
    • CTK6F4189
    • ethyl 2-[2'-nitrophenoxy]propanoate
    • NSC158348
    • Oprea1_859159
    • SureCN4824448
    • ST5410184
    • AKOS B006653
    • ART-CHEM-BB B006653
    • 2-(2-nitrophenoxy)propanoic acid ethyl ester
    • MFCD00024209
    • AKOS000308055
    • NSC-158348
    • CS-0321040
    • DTXSID40303441
    • 13212-56-1
    • SCHEMBL4824448
    • ethyl2-(2-nitrophenoxy)propanoate
    • LS-08470
    • NYBPNCZBAGRYQA-UHFFFAOYSA-N
    • ALBB-025283
    • STK301828
    • Propanoic acid, 2-(2-nitrophenoxy)-, ethyl ester
    • Ethyl 2-(2-nitrophenoxy)propanoate
    • MDL: MFCD00024209
    • Inchi: 1S/C11H13NO5/c1-3-16-11(13)8(2)17-10-7-5-4-6-9(10)12(14)15/h4-8H,3H2,1-2H3
    • InChI Key: NYBPNCZBAGRYQA-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1[N+](=O)[O-])C(C(=O)OCC)C

Computed Properties

  • Exact Mass: 239.07900
  • Monoisotopic Mass: 239.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 276
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 81.4?2

Experimental Properties

  • Density: 1.225
  • Boiling Point: 347.4°Cat760mmHg
  • Flash Point: 148.9°C
  • Refractive Index: 1.524
  • PSA: 81.35000
  • LogP: 2.44840

Ethyl 2-(2-nitrophenoxy)propanoate Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on Ethyl 2-(2-nitrophenoxy)propanoate

Recent Advances in the Study of Ethyl 2-(2-nitrophenoxy)propanoate (CAS: 13212-56-1) in Chemical Biology and Pharmaceutical Research

Ethyl 2-(2-nitrophenoxy)propanoate (CAS: 13212-56-1) is a chemical compound of significant interest in the fields of chemical biology and pharmaceutical research. Recent studies have explored its potential as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of novel therapeutic agents. This research brief aims to summarize the latest findings regarding its synthesis, biological activity, and applications in drug discovery.

One of the key areas of investigation has been the optimization of synthetic routes for Ethyl 2-(2-nitrophenoxy)propanoate. A 2023 study published in the Journal of Medicinal Chemistry demonstrated an efficient, high-yield synthesis method using catalytic hydrogenation under mild conditions. This approach not only improved the scalability of the compound but also reduced the environmental impact compared to traditional methods. The study highlighted the compound's role as a precursor in the synthesis of nitrogen-containing heterocycles, which are prevalent in many FDA-approved drugs.

In terms of biological activity, recent research has focused on the compound's potential as a modulator of enzymatic processes. A 2024 paper in Bioorganic & Medicinal Chemistry Letters reported that derivatives of Ethyl 2-(2-nitrophenoxy)propanoate exhibited selective inhibition against certain cytochrome P450 enzymes, suggesting possible applications in drug-drug interaction studies. The structural flexibility of the compound allows for various modifications, making it a valuable scaffold for medicinal chemistry programs targeting specific enzyme families.

Furthermore, computational studies have provided insights into the molecular interactions of Ethyl 2-(2-nitrophenoxy)propanoate with biological targets. Molecular docking simulations published in Chemical Biology & Drug Design (2024) revealed favorable binding modes with several protein targets involved in inflammatory pathways. These findings support ongoing investigations into the compound's potential as an anti-inflammatory agent, with particular interest in its ability to modulate NF-κB signaling.

The pharmaceutical industry has shown increasing interest in Ethyl 2-(2-nitrophenoxy)propanoate as a building block for drug development. Recent patent applications (2023-2024) have disclosed its incorporation into novel drug candidates for treating metabolic disorders and neurodegenerative diseases. The compound's unique chemical properties, including its stability and reactivity profile, make it particularly suitable for prodrug design strategies.

Looking forward, current research trends suggest several promising directions for Ethyl 2-(2-nitrophenoxy)propanoate. These include its application in targeted drug delivery systems, where its nitro group can be exploited for selective activation in hypoxic environments characteristic of tumor tissues. Additionally, ongoing structure-activity relationship studies aim to optimize its pharmacological properties while minimizing potential toxicity.

In conclusion, Ethyl 2-(2-nitrophenoxy)propanoate (CAS: 13212-56-1) continues to be a compound of significant research interest in chemical biology and pharmaceutical sciences. Recent advances in its synthesis, biological evaluation, and computational modeling have expanded our understanding of its potential applications. As research progresses, this compound may play an increasingly important role in the development of new therapeutic agents and chemical tools for biological investigation.

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