Cas no 111185-04-7 (3-ethoxy-2-methylaniline)

3-Ethoxy-2-methylaniline is a substituted aniline derivative characterized by the presence of an ethoxy group at the 3-position and a methyl group at the 2-position of the aromatic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the production of dyes, pharmaceuticals, and agrochemicals. Its structural features, including the electron-donating ethoxy group, enhance reactivity in electrophilic substitution reactions, making it valuable for constructing complex aromatic systems. The compound exhibits moderate solubility in organic solvents and stability under standard handling conditions. Its well-defined molecular structure allows for precise functionalization, enabling tailored applications in fine chemical manufacturing.
3-ethoxy-2-methylaniline structure
3-ethoxy-2-methylaniline structure
Product Name:3-ethoxy-2-methylaniline
CAS No:111185-04-7
MF:C9H13NO
MW:151.205622434616
MDL:MFCD12169988
CID:2606894
PubChem ID:13737011
Update Time:2025-10-05

3-ethoxy-2-methylaniline Chemical and Physical Properties

Names and Identifiers

    • 3-ethoxy-2-methylaniline
    • DTXSID20548035
    • Benzenamine, 3-ethoxy-2-methyl-
    • SCHEMBL1141313
    • EN300-319408
    • A1-05086
    • YWTKEOVIVQLVKV-UHFFFAOYSA-N
    • DB-105544
    • 111185-04-7
    • F18648
    • MDL: MFCD12169988
    • Inchi: 1S/C9H13NO/c1-3-11-9-6-4-5-8(10)7(9)2/h4-6H,3,10H2,1-2H3
    • InChI Key: YWTKEOVIVQLVKV-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC=C(C=1C)N

Computed Properties

  • Exact Mass: 151.099714038Da
  • Monoisotopic Mass: 151.099714038Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 116
  • 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: 1.9
  • Topological Polar Surface Area: 35.3?2

3-ethoxy-2-methylaniline Pricemore >>

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Additional information on 3-ethoxy-2-methylaniline

3-Ethoxy-2-Methylaniline: A Comprehensive Overview

3-Ethoxy-2-methylaniline, also known by its CAS number 111185-04-7, is a versatile organic compound that has garnered significant attention in various fields of chemistry and materials science. This compound, characterized by its unique structure featuring an ethoxy group at the 3-position and a methyl group at the 2-position on an aniline backbone, exhibits intriguing chemical properties and potential applications. Recent advancements in synthetic methodologies and its utilization in cutting-edge research have further underscored its importance in both academic and industrial settings.

The synthesis of 3-ethoxy-2-methylaniline has been a focal point for researchers aiming to optimize production efficiency and minimize environmental impact. Traditional methods often involve multi-step processes, including Friedel-Crafts alkylation or acylation followed by substitution reactions. However, recent studies have explored the use of transition metal catalysts, such as palladium complexes, to streamline the synthesis process. These innovations not only enhance yield but also reduce reaction times, making the compound more accessible for large-scale applications.

In terms of chemical properties, 3-ethoxy-2-methylaniline demonstrates remarkable stability under various conditions, which is attributed to the electron-donating effects of the ethoxy and methyl groups. These substituents significantly influence the compound's reactivity, making it a valuable precursor in the synthesis of more complex molecules. For instance, it serves as an intermediate in the production of advanced polymers and pharmaceutical agents.

The application of 3-ethoxy-2-methylaniline extends into diverse domains. In materials science, it has been employed as a monomer in the development of high-performance polymers with tailored electronic properties. Recent research highlights its role in creating conductive polymers that exhibit exceptional charge transport characteristics, making them suitable for use in flexible electronics and energy storage devices.

In the field of pharmacology, 3-ethoxy-2-methylaniline has shown promise as a lead compound in drug discovery. Its ability to modulate specific biological pathways has been explored in preclinical studies targeting chronic diseases such as cancer and neurodegenerative disorders. Moreover, advancements in medicinal chemistry have enabled the design of derivatives with improved bioavailability and reduced toxicity profiles.

The environmental impact of 3-ethoxy-2-methylaniline has also been a subject of scrutiny. Studies have demonstrated that while it is relatively stable under ambient conditions, controlled degradation pathways can be implemented to mitigate potential ecological risks. Biodegradation techniques involving microbial consortia have shown particular promise in breaking down this compound into innocuous byproducts.

In conclusion, 3-Ethoxy-2-MethylAniline, with its unique structural features and versatile applications, continues to be a cornerstone in modern chemical research. As ongoing studies unravel new synthetic routes and expand its utility across disciplines, this compound stands poised to make significant contributions to both scientific advancement and industrial innovation.

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