Cas no 6338-04-1 (2-(3-methylphenoxy)benzoic acid)

2-(3-Methylphenoxy)benzoic acid is a substituted benzoic acid derivative featuring a 3-methylphenoxy group at the 2-position. This compound is of interest in organic synthesis and pharmaceutical research due to its structural versatility, serving as a potential intermediate for the development of bioactive molecules. The presence of both carboxylic acid and ether functionalities allows for further derivatization, enabling applications in ligand design or fine chemical production. Its well-defined aromatic framework contributes to stability, while the methyl substitution may influence solubility and reactivity. The compound is typically characterized by standard analytical techniques, including NMR and HPLC, ensuring high purity for research use.
2-(3-methylphenoxy)benzoic acid structure
6338-04-1 structure
Product Name:2-(3-methylphenoxy)benzoic acid
CAS No:6338-04-1
MF:C14H12O3
MW:228.243284225464
MDL:MFCD11107570
CID:859307
PubChem ID:235824
Update Time:2026-04-29

2-(3-methylphenoxy)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Methylphenoxy)-benzoic acid
    • 2-m-Kresoxy-benzoesaeure; AKOS000263967; 2-m-Tolyloxy-benzoesaeure; CTK2F5682; NSC37594; SureCN2867681; AR-1C7383; AC1Q5UU5; O-m-Tolyl-salicylsaeure; AC1L5V8K; 3'-Methyl-diphenylaether-carbonsaeure-(2); m-Tolylaethersalicylsaeure; 2-m-tolyloxy-benzoic acid;
    • 2-(3-methylphenoxy)benzoic acid
    • MDL: MFCD11107570

Computed Properties

  • Exact Mass: 228.07866
  • Monoisotopic Mass: 228.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 264
  • 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: 3.5
  • Topological Polar Surface Area: 46.5A^2

Experimental Properties

  • Density: 1.208
  • Boiling Point: 356.1°C at 760 mmHg
  • Flash Point: 134°C
  • Refractive Index: 1.598
  • PSA: 46.53
  • LogP: 3.48550

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Additional information on 2-(3-methylphenoxy)benzoic acid

Professional Introduction to 2-(3-methylphenoxy)benzoic Acid (CAS No. 6338-04-1)

2-(3-methylphenoxy)benzoic acid, with the chemical identifier CAS No. 6338-04-1, is a significant compound in the field of pharmaceutical chemistry and biochemistry. This organic compound, characterized by its phenolic and benzoic acid derivatives, has garnered considerable attention due to its diverse applications and potential in medicinal chemistry. The structural motif of 2-(3-methylphenoxy)benzoic acid consists of a benzoic acid core substituted with a phenoxy group at the 2-position, further modified by a methyl group on the phenoxy ring. This unique configuration imparts distinct chemical properties that make it a valuable candidate for various research and development initiatives.

The compound's relevance is underscored by its role as a key intermediate in synthesizing biologically active molecules. In recent years, advancements in synthetic methodologies have enabled more efficient production of 2-(3-methylphenoxy)benzoic acid, facilitating its incorporation into complex drug candidates. Researchers have leveraged its structural features to develop novel analogs with enhanced pharmacological profiles. For instance, studies have demonstrated its utility in creating derivatives with potential anti-inflammatory, antioxidant, and even anticancer properties.

One of the most compelling aspects of 2-(3-methylphenoxy)benzoic acid is its versatility in molecular design. The presence of both hydrophilic and lipophilic regions allows for favorable interactions with biological targets, making it an attractive scaffold for drug development. Recent publications highlight its application in designing ligands for enzyme inhibition, particularly targeting enzymes involved in metabolic pathways relevant to chronic diseases. The benzoic acid moiety, known for its metabolic stability, ensures that the compound remains active within biological systems, whereas the phenoxy and methyl substituents contribute to selective binding affinities.

The pharmaceutical industry has been particularly interested in exploring the therapeutic potential of derivatives of 2-(3-methylphenoxy)benzoic acid. For example, modifications at the 3-position of the phenoxy ring have led to compounds exhibiting improved solubility and bioavailability. These attributes are critical for developing formulations that can be administered orally or through other non-invasive routes. Furthermore, computational modeling studies have predicted that certain derivatives may interact with specific protein receptors with high affinity, suggesting their promise as lead compounds for further optimization.

In addition to its pharmaceutical applications, 2-(3-methylphenoxy)benzoic acid has shown promise in materials science and industrial chemistry. Its ability to undergo various chemical reactions, such as esterification and amidation, makes it a versatile building block for synthesizing polymers and specialty chemicals. Researchers are exploring its use in creating advanced materials with tailored properties, such as biodegradable polymers or coatings with enhanced durability.

The synthesis of 2-(3-methylphenoxy)benzoic acid has been refined through multiple pathways, each offering distinct advantages depending on scalability and purity requirements. Traditional methods involving Friedel-Crafts alkylation followed by hydrolysis remain common approaches, while newer techniques employing palladium-catalyzed cross-coupling reactions provide higher selectivity and reduced byproduct formation. These advancements have not only improved the yield but also made the production process more environmentally sustainable.

The regulatory landscape for compounds like 2-(3-methylphenoxy)benzoic acid is another critical consideration. While not classified as a controlled substance or hazardous material under standard regulations, compliance with Good Manufacturing Practices (GMP) is essential to ensure consistency and safety in both research and industrial settings. Manufacturers must adhere to stringent quality control measures to meet the demands of pharmaceutical applications where purity is paramount.

Ethical considerations also play a significant role in the development and use of such compounds. Responsible research practices emphasize transparency in methodology and collaboration across academic institutions and industry partners to maximize societal benefits while minimizing risks. Public engagement through educational initiatives helps foster understanding about the importance of chemical research in addressing global health challenges.

The future prospects for 2-(3-methylphenoxy)benzoic acid appear promising as new methodologies continue to emerge. Innovations in green chemistry are driving efforts to develop synthetic routes that reduce waste and energy consumption without compromising efficiency. Additionally, interdisciplinary approaches combining organic chemistry with computational biology are expected to yield novel insights into how this compound can be optimized for therapeutic use.

In conclusion, 2-(3-methylphenoxy)benzoic acid (CAS No. 6338-04-1) stands as a testament to the ingenuity of modern chemical research. Its unique structural features offer broad utility across multiple domains, from drug development to advanced materials science. As scientists continue to uncover new applications and refine synthetic techniques, this compound will undoubtedly remain at the forefront of innovation within the chemical sciences.

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