Cas no 1803828-35-4 (Methyl 2,3-difluoro-6-(difluoromethyl)benzoate)

Methyl 2,3-difluoro-6-(difluoromethyl)benzoate structure
1803828-35-4 structure
Product Name:Methyl 2,3-difluoro-6-(difluoromethyl)benzoate
CAS No:1803828-35-4
MF:C9H6F4O2
MW:222.136356830597
CID:4795740
Update Time:2025-11-01

Methyl 2,3-difluoro-6-(difluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,3-difluoro-6-(difluoromethyl)benzoate
    • Inchi: 1S/C9H6F4O2/c1-15-9(14)6-4(8(12)13)2-3-5(10)7(6)11/h2-3,8H,1H3
    • InChI Key: YEKFXYWQPYQBFU-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(C(F)F)=C1C(=O)OC)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 234
  • XLogP3: 2.6
  • Topological Polar Surface Area: 26.3

Methyl 2,3-difluoro-6-(difluoromethyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015013445-250mg
Methyl 2,3-difluoro-6-(difluoromethyl)benzoate
1803828-35-4 97%
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470.40 USD 2021-05-31
Alichem
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Additional information on Methyl 2,3-difluoro-6-(difluoromethyl)benzoate

Methyl 2,3-difluoro-6-(difluoromethyl)benzoate (CAS No. 1803828-35-4): A Comprehensive Overview

Methyl 2,3-difluoro-6-(difluoromethyl)benzoate, identified by its CAS number 1803828-35-4, is a fluorinated benzoate derivative that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound, characterized by its unique structural features, exhibits promising properties that make it a valuable candidate for further exploration in drug discovery and material science.

The molecular structure of Methyl 2,3-difluoro-6-(difluoromethyl)benzoate consists of a benzoate core substituted with two fluorine atoms at the 2 and 3 positions, and a difluoromethyl group at the 6 position. This specific arrangement of fluorine atoms imparts distinct electronic and steric properties to the molecule, which can influence its biological activity and reactivity. The presence of fluorine atoms is well-known to enhance metabolic stability, improve binding affinity to biological targets, and modulate pharmacokinetic profiles, making fluorinated compounds highly sought after in medicinal chemistry.

In recent years, there has been a surge in research focused on developing novel fluorinated compounds for therapeutic applications. The< strong>2,3-difluoro-6-(difluoromethyl)benzoate moiety has been extensively studied for its potential in designing inhibitors targeting various enzymes and receptors involved in critical biological pathways. For instance, studies have demonstrated that this compound can interact with enzymes such as kinases and cytochrome P450 enzymes, which are key players in numerous disease pathways. The< strong>difluoromethyl group, in particular, has been shown to enhance the binding affinity of molecules to their target proteins, thereby increasing their efficacy as potential drug candidates.

The pharmaceutical industry has shown particular interest in< strong>Methyl 2,3-difluoro-6-(difluoromethyl)benzoate due to its potential applications in the development of anti-inflammatory, anti-cancer, and anti-viral agents. Preliminary studies have indicated that this compound exhibits inhibitory activity against several inflammatory cytokines and growth factors, suggesting its utility in treating chronic inflammatory diseases. Additionally, its structural features make it a promising scaffold for developing small-molecule inhibitors targeting oncogenic pathways. The< strong>difluoromethyl group's ability to stabilize reactive intermediates and enhance metabolic stability further enhances its appeal as a pharmacophore.

Beyond pharmaceutical applications, Methyl 2,3-difluoro-6-(difluoromethyl)benzoate also finds relevance in agrochemical research. Fluorinated compounds are widely used in the development of pesticides and herbicides due to their improved efficacy and environmental stability. The unique chemical properties of this compound make it a potential candidate for designing novel agrochemicals that can effectively target pests while minimizing environmental impact. Research is ongoing to explore its role in developing next-generation crop protection agents.

The synthesis of< strong>Methyl 2,3-difluoro-6-(difluoromethyl)benzoate presents both challenges and opportunities for chemists. The introduction of multiple fluorine atoms requires precise control over reaction conditions to achieve high yields and purity. Advanced synthetic methodologies, such as cross-coupling reactions and metal-catalyzed transformations, have been employed to construct the desired fluorinated benzoate structure efficiently. These synthetic approaches not only facilitate the production of< strong>Methyl 2,3-difluoro-6-(difluoromethyl)benzoate but also provide insights into developing scalable processes for other fluorinated derivatives.

In conclusion, Methyl 2,3-difluoro-6-(difluoromethyl)benzoate (CAS No. 1803828-35-4) is a multifaceted compound with significant potential in pharmaceuticals and agrochemicals. Its unique structural features and promising biological activities make it a valuable asset in drug discovery efforts aimed at addressing various diseases. As research continues to uncover new applications for this compound, it is expected to play an increasingly important role in the development of innovative therapeutic agents and sustainable agricultural solutions.

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