Cas no 1803833-41-1 (Methyl 2,4-difluoro-6-methylbenzoate)

Methyl 2,4-difluoro-6-methylbenzoate is a fluorinated aromatic ester with applications in pharmaceutical and agrochemical synthesis. Its key structural features—the difluoro and methyl substituents—enhance its reactivity and selectivity in cross-coupling reactions and other transformations. The ester group provides a versatile handle for further functionalization, while the fluorine atoms contribute to improved metabolic stability and bioavailability in active compounds. This compound is particularly valuable as an intermediate in the development of fluorinated active ingredients, where its well-defined purity and consistent performance are critical. Suitable for use under controlled conditions, it is typically handled by professionals in synthetic chemistry laboratories.
Methyl 2,4-difluoro-6-methylbenzoate structure
1803833-41-1 structure
Product Name:Methyl 2,4-difluoro-6-methylbenzoate
CAS No:1803833-41-1
MF:C9H8F2O2
MW:186.155429840088
CID:4706065
Update Time:2025-09-28

Methyl 2,4-difluoro-6-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,4-difluoro-6-methylbenzoate
    • Inchi: 1S/C9H8F2O2/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4H,1-2H3
    • InChI Key: LJUVVRGAWFGIRE-UHFFFAOYSA-N
    • SMILES: FC1=CC(=CC(C)=C1C(=O)OC)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 196
  • Topological Polar Surface Area: 26.3

Methyl 2,4-difluoro-6-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015013342-250mg
Methyl 2,4-difluoro-6-methylbenzoate
1803833-41-1 97%
250mg
489.60 USD 2021-06-21
Alichem
A015013342-500mg
Methyl 2,4-difluoro-6-methylbenzoate
1803833-41-1 97%
500mg
823.15 USD 2021-06-21
Alichem
A015013342-1g
Methyl 2,4-difluoro-6-methylbenzoate
1803833-41-1 97%
1g
1,475.10 USD 2021-06-21

Methyl 2,4-difluoro-6-methylbenzoate Related Literature

Additional information on Methyl 2,4-difluoro-6-methylbenzoate

Methyl 2,4-difluoro-6-methylbenzoate (CAS No. 1803833-41-1): A Comprehensive Overview in Modern Chemical Research

Methyl 2,4-difluoro-6-methylbenzoate, identified by the chemical identifier CAS No. 1803833-41-1, is a significant compound in the realm of organic chemistry and pharmaceutical research. This compound, characterized by its 2,4-difluoro and 6-methyl substituents on the benzoate backbone, has garnered attention due to its versatile applications in synthetic chemistry and potential utility in drug development.

The structural uniqueness of Methyl 2,4-difluoro-6-methylbenzoate lies in its fluorinated aromatic ring system. Fluorine atoms are known for their ability to modulate the electronic properties of molecules, making them valuable in medicinal chemistry for enhancing metabolic stability, lipophilicity, and binding affinity. The presence of both 2,4-difluoro and 6-methyl groups introduces a complex interplay of steric and electronic effects, which can be exploited to fine-tune the chemical behavior of the compound.

In recent years, Methyl 2,4-difluoro-6-methylbenzoate has been explored in various research domains. One notable area is its application as an intermediate in the synthesis of more complex molecules. The benzoate moiety is a common pharmacophore in many drugs, and modifications at the ortho and para positions can lead to novel bioactive compounds. The fluorine atoms further enhance the potential of this compound as a building block for drug candidates.

Recent studies have highlighted the role of Methyl 2,4-difluoro-6-methylbenzoate in the development of agrochemicals. The combination of fluorine and methyl groups can influence the bioactivity of compounds against pests and pathogens. This has led to investigations into its derivatives as potential candidates for new pesticides or herbicides, leveraging its structural features to improve efficacy and environmental safety.

The pharmaceutical industry has also shown interest in Methyl 2,4-difluoro-6-methylbenzoate due to its potential as a precursor for therapeutic agents. Researchers are exploring its utility in synthesizing molecules with anti-inflammatory, anti-cancer, and antimicrobial properties. The fluorinated aromatic system is particularly attractive because it can enhance the pharmacokinetic properties of drug candidates, such as their solubility and half-life.

One cutting-edge application involves the use of Methyl 2,4-difluoro-6-methylbenzoate in photodynamic therapy (PDT). The compound's ability to absorb light at specific wavelengths makes it a candidate for photosensitizer-based therapies. When combined with appropriate light sources, it can generate reactive oxygen species that selectively target diseased cells. This approach holds promise for treating various conditions, including cancer and chronic infections.

The synthesis of Methyl 2,4-difluoro-6-methylbenzoate involves sophisticated organic reactions that highlight modern synthetic methodologies. Techniques such as cross-coupling reactions, fluoration processes, and catalytic hydrogenation are employed to construct the desired structure efficiently. These methods not only ensure high yields but also minimize unwanted byproducts, making the process environmentally sustainable.

In conclusion, Methyl 2,4-difluoro-6-methylbenzoate (CAS No. 1803833-41-1) is a multifaceted compound with significant potential in various scientific fields. Its unique structural features make it a valuable intermediate in pharmaceuticals, agrochemicals, and advanced therapies like photodynamic treatment. As research continues to uncover new applications for this compound, its importance in modern chemical science is likely to grow even further.

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