Cas no 937636-18-5 (Methyl 3-fluoro-4-(hydroxymethyl)benzoate)

Methyl 3-fluoro-4-(hydroxymethyl)benzoate is a fluorinated aromatic ester with a hydroxymethyl functional group, offering versatile reactivity for synthetic applications. The presence of both the electron-withdrawing fluorine atom and the hydroxymethyl group enhances its utility as an intermediate in pharmaceutical and agrochemical synthesis. The ester moiety provides stability while allowing further derivatization under mild conditions. Its well-defined structure ensures consistent performance in cross-coupling reactions, nucleophilic substitutions, and other transformations. The compound’s balanced polarity facilitates solubility in common organic solvents, simplifying handling in laboratory settings. Suitable for controlled functionalization, it is a valuable building block for constructing complex molecules with precision.
Methyl 3-fluoro-4-(hydroxymethyl)benzoate structure
937636-18-5 structure
Product Name:Methyl 3-fluoro-4-(hydroxymethyl)benzoate
CAS No:937636-18-5
MF:C9H9FO3
MW:184.164366483688
MDL:MFCD09836511
CID:1088585
PubChem ID:16640912
Update Time:2025-05-26

Methyl 3-fluoro-4-(hydroxymethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-fluoro-4-(hydroxymethyl)benzoate
    • Benzoic acid, 3-fluoro-4-(hydroxyMethyl)-, Methyl ester
    • AK137968
    • FCH874340
    • PC501575
    • ST2407208
    • AX8220052
    • MDL: MFCD09836511
    • Inchi: 1S/C9H9FO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4,11H,5H2,1H3
    • InChI Key: KEMYSTHNPDGPNS-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)OC)C=CC=1CO

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • Topological Polar Surface Area: 46.5

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Additional information on Methyl 3-fluoro-4-(hydroxymethyl)benzoate

Comprehensive Overview of Methyl 3-fluoro-4-(hydroxymethyl)benzoate (CAS No. 937636-18-5)

Methyl 3-fluoro-4-(hydroxymethyl)benzoate (CAS No. 937636-18-5) is a fluorinated aromatic ester with significant applications in pharmaceutical intermediates, agrochemicals, and specialty chemicals. This compound, characterized by its fluoro and hydroxymethyl functional groups, has garnered attention due to its versatility in organic synthesis and drug development. Researchers and industries are increasingly exploring its potential in green chemistry and sustainable manufacturing, aligning with global trends toward eco-friendly processes.

The structural uniqueness of Methyl 3-fluoro-4-(hydroxymethyl)benzoate lies in its benzoate backbone, which is modified with a fluorine atom and a hydroxymethyl group. These modifications enhance its reactivity and make it a valuable building block for drug discovery and material science. Recent studies highlight its role in synthesizing biologically active molecules, particularly in the development of antiviral and anti-inflammatory agents. This aligns with the growing demand for novel therapeutics, especially in the wake of global health challenges.

From a synthetic perspective, CAS No. 937636-18-5 is often utilized in cross-coupling reactions and esterification processes. Its hydroxymethyl group allows for further functionalization, enabling the creation of complex molecular architectures. This property is particularly relevant in medicinal chemistry, where researchers seek to optimize drug candidates for improved efficacy and safety. The compound's fluorine substitution also contributes to enhanced metabolic stability, a critical factor in pharmaceutical design.

In the context of industrial applications, Methyl 3-fluoro-4-(hydroxymethyl)benzoate is employed in the production of advanced materials and fine chemicals. Its compatibility with catalytic systems and microwave-assisted synthesis has been explored to improve reaction efficiency and reduce waste. These advancements resonate with the circular economy paradigm, which emphasizes resource optimization and minimal environmental impact.

Quality control and analytical characterization of CAS No. 937636-18-5 are critical for ensuring its suitability in high-value applications. Techniques such as HPLC, NMR spectroscopy, and mass spectrometry are routinely employed to verify purity and structural integrity. These protocols are essential for meeting regulatory standards in pharmaceutical and agrochemical industries, where consistency and reproducibility are paramount.

Looking ahead, the demand for Methyl 3-fluoro-4-(hydroxymethyl)benzoate is expected to rise, driven by its utility in next-generation therapeutics and smart materials. Innovations in continuous flow chemistry and biocatalysis may further expand its applications, offering sustainable alternatives to traditional synthetic routes. As the scientific community continues to explore its potential, this compound is poised to play a pivotal role in shaping the future of chemical innovation.

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