Cas no 115118-93-9 (Ethyl-N-(2-methyl-3-nitrophenyl)formimidate)

Ethyl-N-(2-methyl-3-nitrophenyl)formimidate is a specialized organic compound primarily used as an intermediate in the synthesis of fine chemicals and pharmaceuticals. Its structure features a formimidate group attached to an ethyl moiety and a nitrophenyl ring, making it valuable for constructing heterocyclic frameworks. The nitro and methyl substituents enhance its reactivity in nucleophilic substitution and condensation reactions. This compound is particularly useful in medicinal chemistry for developing bioactive molecules due to its ability to act as a versatile building block. It is typically handled under controlled conditions due to its sensitivity to moisture and heat. High purity grades ensure consistent performance in synthetic applications.
Ethyl-N-(2-methyl-3-nitrophenyl)formimidate structure
115118-93-9 structure
Product Name:Ethyl-N-(2-methyl-3-nitrophenyl)formimidate
CAS No:115118-93-9
MF:C10H12N2O3
MW:208.213882446289
CID:824312
PubChem ID:10910736
Update Time:2025-11-02

Ethyl-N-(2-methyl-3-nitrophenyl)formimidate Chemical and Physical Properties

Names and Identifiers

    • Ethyl-N-(2-methyl-3-nitrophenyl)formimidate
    • ethyl N-(2-methyl-3-nitrophenyl)methanimidate
    • ethyl 2-methyl-3-nitrophenylformimidate
    • (E)-ETHYL N-2-METHYL-3-NITROPHENYLFORMIMIDATE
    • N-(2-Methyl-3-nitrophenyl)MethaniMidic Acid Ethyl Ester
    • DB-254809
    • CS-0441260
    • DTXSID80448062
    • SB78292
    • AKOS025294116
    • Ethyl (E)-N-(2-methyl-3-nitrophenyl)formimidate
    • 115118-93-9
    • Inchi: 1S/C10H12N2O3/c1-3-15-7-11-9-5-4-6-10(8(9)2)12(13)14/h4-7H,3H2,1-2H3/b11-7+
    • InChI Key: NONIOTXCYPEXMP-YRNVUSSQSA-N
    • SMILES: O(/C=N/C1C=CC=C(C=1C)[N+](=O)[O-])CC

Computed Properties

  • Exact Mass: 208.08500
  • Monoisotopic Mass: 208.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 237
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • Density: 1.15±0.1 g/cm3(Predicted)
  • Melting Point: 58-59 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
  • Boiling Point: 323.5±35.0 °C(Predicted)
  • Flash Point: 149.5±25.9 °C
  • PSA: 67.41000
  • LogP: 3.12270
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Ethyl-N-(2-methyl-3-nitrophenyl)formimidate Security Information

Ethyl-N-(2-methyl-3-nitrophenyl)formimidate Pricemore >>

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Ethyl-N-(2-methyl-3-nitrophenyl)formimidate Production Method

Additional information on Ethyl-N-(2-methyl-3-nitrophenyl)formimidate

Ethyl-N-(2-methyl-3-nitrophenyl)formimidate (CAS 115118-93-9): A Comprehensive Overview

Ethyl-N-(2-methyl-3-nitrophenyl)formimidate (CAS 115118-93-9) is a specialized organic compound that has garnered significant attention in recent years due to its unique chemical properties and versatile applications. As researchers and industries increasingly focus on nitroaromatic compounds and formimidate derivatives, this particular molecule stands out for its potential in various scientific and industrial domains.

The molecular structure of Ethyl-N-(2-methyl-3-nitrophenyl)formimidate features an ethyl formimidate group attached to a 2-methyl-3-nitrophenyl moiety. This combination creates a compound with interesting electronic properties, making it valuable for applications in organic synthesis and material science. Recent studies have shown that such nitrophenyl derivatives can play crucial roles in developing advanced materials with specific optical or electronic characteristics.

One of the most significant applications of CAS 115118-93-9 is in the field of pharmaceutical intermediates. The compound's structure makes it a potential building block for various drug discovery programs, particularly in developing targeted therapies. With the growing demand for precision medicine and personalized treatment options, researchers are exploring novel nitrogen-containing heterocycles like this compound for their biological activity.

In the context of current scientific trends, Ethyl-N-(2-methyl-3-nitrophenyl)formimidate aligns well with the increasing interest in functionalized aromatic compounds. The nitro group in its structure provides opportunities for further chemical modifications, making it valuable for creating diverse molecular libraries. This is particularly relevant in combinatorial chemistry and high-throughput screening approaches that dominate modern drug discovery.

The compound's physical and chemical properties have been the subject of several research studies. With a molecular weight of 208.21 g/mol, CAS 115118-93-9 typically appears as a yellow to orange crystalline solid. Its solubility characteristics make it suitable for various organic reactions, particularly those requiring polar aprotic solvents. These properties contribute to its utility in multistep synthetic routes where specific reactivity patterns are needed.

From an industrial perspective, Ethyl-N-(2-methyl-3-nitrophenyl)formimidate has shown promise in the development of advanced materials. The combination of the nitro aromatic system with the formimidate functionality creates opportunities for designing materials with tailored electronic properties. This is particularly relevant for applications in organic electronics and optoelectronic devices, where molecular structure directly influences performance characteristics.

Recent advancements in green chemistry have also brought attention to compounds like CAS 115118-93-9. Researchers are exploring more sustainable synthetic routes for producing such nitroaromatic derivatives, focusing on reducing environmental impact while maintaining efficiency. This aligns with global trends toward eco-friendly chemical processes and sustainable manufacturing practices in the chemical industry.

The analytical characterization of Ethyl-N-(2-methyl-3-nitrophenyl)formimidate typically involves techniques such as NMR spectroscopy, mass spectrometry, and HPLC analysis. These methods are crucial for quality control in both research and industrial settings, ensuring the compound meets the required specifications for various applications. The development of improved analytical protocols for such specialty chemicals remains an active area of research.

In the context of intellectual property and commercial availability, CAS 115118-93-9 has been referenced in several patents and scientific publications. The compound's unique structure makes it valuable for proprietary applications, particularly in industries where molecular diversity and structural novelty are key considerations. Suppliers specializing in fine chemicals and research compounds often list this molecule in their catalogs.

Looking toward future applications, Ethyl-N-(2-methyl-3-nitrophenyl)formimidate may find new uses in emerging technologies. The growing field of molecular electronics and the increasing demand for specialty chemical building blocks in materials science suggest continued relevance for this compound. Researchers are particularly interested in how modifications to its structure might yield materials with enhanced properties for energy storage or catalysis applications.

For laboratories and research institutions working with nitroaromatic compounds, proper handling and storage of CAS 115118-93-9 are essential considerations. While not classified as hazardous under standard regulations, appropriate laboratory safety protocols should always be followed when working with any chemical substance. This includes using proper personal protective equipment and working in well-ventilated areas.

The synthesis of Ethyl-N-(2-methyl-3-nitrophenyl)formimidate typically involves multistep organic reactions starting from commercially available precursors. Recent literature has described optimized procedures that improve yields and purity, reflecting the ongoing refinement of synthetic methodologies for such functionalized aromatic compounds. These advancements contribute to making the compound more accessible for research and development purposes.

In the academic sphere, CAS 115118-93-9 serves as an interesting case study in organic chemistry education. Its structure demonstrates important concepts such as electronic effects in aromatic systems, functional group compatibility, and molecular reactivity patterns. The compound's synthetic versatility makes it valuable for teaching advanced organic synthesis techniques in university laboratories.

From a commercial perspective, the market for specialty chemicals like Ethyl-N-(2-methyl-3-nitrophenyl)formimidate continues to grow. The compound's niche applications in pharmaceutical research and material science create steady demand from both academic and industrial sectors. Suppliers are increasingly offering custom synthesis services and bulk quantities to meet diverse research needs.

As research into nitrogen-containing compounds advances, derivatives of CAS 115118-93-9 may emerge with enhanced properties or novel applications. The scientific community continues to explore the potential of such molecules in addressing contemporary challenges in healthcare, energy, and advanced materials. This ongoing investigation ensures that compounds like Ethyl-N-(2-methyl-3-nitrophenyl)formimidate remain relevant in cutting-edge research.

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