Cas no 1431329-81-5 (6-Ethoxy-2,3-difluorobenzoic acid)

6-Ethoxy-2,3-difluorobenzoic acid is a fluorinated benzoic acid derivative characterized by its ethoxy and difluoro substituents at the 6th, 2nd, and 3rd positions, respectively. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The presence of fluorine atoms enhances its reactivity and metabolic stability, making it valuable for designing bioactive molecules. Its ethoxy group further contributes to solubility and functionalization potential. The compound is typically supplied in high purity, ensuring consistent performance in synthetic applications. Careful handling is recommended due to its potential sensitivity to strong acids, bases, or oxidizing agents.
6-Ethoxy-2,3-difluorobenzoic acid structure
1431329-81-5 structure
Product Name:6-Ethoxy-2,3-difluorobenzoic acid
CAS No:1431329-81-5
MF:C9H8F2O3
MW:202.154829978943
CID:4599360
Update Time:2025-05-27

6-Ethoxy-2,3-difluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Ethoxy-2,3-difluorobenzoic acid
    • Inchi: 1S/C9H8F2O3/c1-2-14-6-4-3-5(10)8(11)7(6)9(12)13/h3-4H,2H2,1H3,(H,12,13)
    • InChI Key: LKUXFZWPJFDQGP-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=C(OCC)C=CC(F)=C1F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3

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Additional information on 6-Ethoxy-2,3-difluorobenzoic acid

Comprehensive Overview of 6-Ethoxy-2,3-difluorobenzoic acid (CAS No. 1431329-81-5): Properties, Applications, and Industry Insights

6-Ethoxy-2,3-difluorobenzoic acid (CAS No. 1431329-81-5) is a fluorinated benzoic acid derivative gaining significant attention in pharmaceutical and agrochemical research. This compound, characterized by its ethoxy and difluoro substitutions, exhibits unique physicochemical properties that make it valuable for synthetic applications. With the growing demand for fluorinated organic compounds in drug discovery, this molecule has emerged as a key intermediate in the development of bioactive molecules.

The structural features of 6-Ethoxy-2,3-difluorobenzoic acid contribute to its versatility. The presence of fluorine atoms enhances metabolic stability and lipophilicity, critical factors in medicinal chemistry. Researchers are particularly interested in its potential as a building block for small-molecule inhibitors and API intermediates. Recent studies highlight its utility in designing compounds targeting enzyme modulation, aligning with trends in precision medicine and personalized therapeutics.

From an industrial perspective, CAS 1431329-81-5 is manufactured under strict quality control to meet the standards of GMP-compliant synthesis. The compound's purity profile (>98%) makes it suitable for high-value applications. Analytical techniques like HPLC and NMR are routinely employed for characterization, addressing the pharmaceutical industry's need for well-characterized chemical entities. This aligns with current Good Manufacturing Practice (cGMP) requirements for pharmaceutical intermediates.

Environmental considerations surrounding fluorinated compounds have prompted innovations in the sustainable production of 6-Ethoxy-2,3-difluorobenzoic acid. Green chemistry approaches, including catalytic fluorination and solvent-free reactions, are being explored to reduce the ecological footprint of its synthesis. These developments respond to the increasing regulatory focus on green pharmaceuticals and the industry's commitment to sustainable chemistry principles.

The commercial landscape for 1431329-81-5 reflects broader market trends in fine chemicals. With the global fluorochemicals market projected to grow at 5.8% CAGR (2023-2030), this compound is positioned as a strategic material for research organizations and manufacturers. Its applications extend beyond pharmaceuticals to include advanced material science, particularly in the development of liquid crystal materials and organic electronic components.

Quality assurance protocols for 6-Ethoxy-2,3-difluorobenzoic acid emphasize comprehensive analytical validation, including determination of residual solvents and heavy metal content. These measures ensure compliance with international pharmacopeia standards, addressing the pharmaceutical industry's stringent requirements for impurity control. The compound's stability profile under various storage conditions has been extensively documented, supporting its use in long-term research projects.

Emerging research directions for CAS 1431329-81-5 include its potential in proteolysis targeting chimera (PROTAC) development and covalent inhibitor design. These cutting-edge applications leverage the compound's structural features to address challenges in targeted protein degradation therapies. Such innovations position 6-Ethoxy-2,3-difluorobenzoic acid at the forefront of contemporary drug discovery platforms.

Supply chain dynamics for this specialty chemical reflect the increasing globalization of pharmaceutical ingredients. Strategic partnerships between custom synthesis providers and research institutions have optimized the availability of 1431329-81-5 for diverse applications. Documentation packages typically include detailed COA (Certificate of Analysis) and MSDS information, facilitating regulatory compliance across multiple jurisdictions.

Technological advancements in high-throughput screening have expanded the utility of 6-Ethoxy-2,3-difluorobenzoic acid in combinatorial chemistry approaches. The compound's compatibility with automated synthesis platforms makes it valuable for library generation in lead optimization programs. These applications align with the pharmaceutical industry's drive toward accelerated drug development cycles.

Looking ahead, the scientific community anticipates novel derivatives of 6-Ethoxy-2,3-difluorobenzoic acid to emerge as researchers explore its structure-activity relationships. The compound's modular structure lends itself to diverse chemical modifications, offering opportunities for intellectual property generation in patent landscapes surrounding fluorinated therapeutics. This potential underscores the compound's strategic importance in competitive pharmaceutical research environments.

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