Cas no 449811-63-6 ((2,4-Difluorophenoxy)acetic Acid Methyl Ester)

(2,4-Difluorophenoxy)acetic Acid Methyl Ester is a fluorinated aromatic ester with applications in organic synthesis and pharmaceutical intermediates. Its key advantages include high reactivity due to the electron-withdrawing effects of the fluorine substituents, which enhance its utility in nucleophilic substitution and coupling reactions. The methyl ester group provides improved solubility in organic solvents, facilitating further derivatization. The compound's stability under standard conditions ensures consistent performance in synthetic workflows. Its structural features make it a valuable precursor for agrochemicals and bioactive molecules, where fluorinated motifs are often desirable for enhancing metabolic stability and binding affinity. Proper handling requires standard laboratory precautions due to its potential irritant properties.
(2,4-Difluorophenoxy)acetic Acid Methyl Ester structure
449811-63-6 structure
Product Name:(2,4-Difluorophenoxy)acetic Acid Methyl Ester
CAS No:449811-63-6
MF:C9H8F2O3
MW:202.154829978943
CID:2085827
PubChem ID:23434554
Update Time:2025-10-30

(2,4-Difluorophenoxy)acetic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • (2,4-Difluorophenoxy)acetic Acid Methyl Ester
    • 2-(2,4-Difluorophenoxy)-acetic acid methyl ester
    • SCHEMBL2945856
    • Methyl2-(2,4-difluorophenoxy)acetate
    • AKOS005206031
    • 2-(2,4-Difluorophenoxy)acetic Acid Methyl Ester
    • IUBJMZJUWOIZRP-UHFFFAOYSA-N
    • 449811-63-6
    • Methyl 2-(2,4-difluorophenoxy)acetate
    • F78632
    • CS-0323118
    • Inchi: 1S/C9H8F2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
    • InChI Key: IUBJMZJUWOIZRP-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1OCC(=O)OC)F

Computed Properties

  • Exact Mass: 202.04415044g/mol
  • Monoisotopic Mass: 202.04415044g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 199
  • 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: 2
  • Topological Polar Surface Area: 35.5?2

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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(2,4-Difluorophenoxy)acetic Acid Methyl Ester Related Literature

Additional information on (2,4-Difluorophenoxy)acetic Acid Methyl Ester

(2,4-Difluorophenoxy)acetic Acid Methyl Ester: A Comprehensive Overview

(2,4-Difluorophenoxy)acetic Acid Methyl Ester, also known by its CAS number 449811-63-6, is a chemical compound that has garnered significant attention in various fields due to its unique properties and applications. This compound is a methyl ester derivative of (2,4-difluorophenoxy)acetic acid, which belongs to the class of phenoxyacetic acids. Its structure consists of a phenoxy group substituted with two fluorine atoms at the 2 and 4 positions, attached to an acetic acid moiety that is further esterified with methanol.

The presence of fluorine atoms in the aromatic ring introduces several unique characteristics to this compound. Fluorine substitution typically enhances the stability of the molecule and can influence its reactivity in various chemical reactions. This makes (2,4-difluorophenoxy)acetic Acid Methyl Ester a valuable intermediate in organic synthesis, particularly in the development of agrochemicals and pharmaceuticals. Recent studies have highlighted its potential as a precursor for herbicides, where its ability to inhibit specific enzymatic pathways in plants has been exploited.

In terms of physical properties, this compound exhibits a melting point of approximately 55-57°C and a boiling point around 150°C under standard conditions. Its solubility in organic solvents such as dichloromethane and ethyl acetate is relatively high, which facilitates its use in various synthetic procedures. The compound's stability under normal storage conditions is excellent, provided it is protected from direct sunlight and moisture.

The synthesis of (2,4-difluorophenoxy)acetic Acid Methyl Ester typically involves a multi-step process. Starting from the corresponding phenoxyacetic acid, the hydroxyl group is first converted into an ester using methanol in the presence of an acid catalyst. Subsequent fluorination steps are carried out to introduce the fluorine atoms at the desired positions on the aromatic ring. This process requires precise control over reaction conditions to ensure high yields and purity.

Recent advancements in green chemistry have led to the exploration of more sustainable methods for synthesizing this compound. Researchers are now focusing on using microwave-assisted synthesis and catalytic systems to reduce energy consumption and minimize waste generation. These efforts align with global initiatives to promote environmentally friendly chemical processes.

In terms of applications, (2,4-difluorophenoxy)acetic Acid Methyl Ester has found significant use in agriculture as an intermediate for herbicides. Its ability to inhibit auxin transport in plants makes it effective in controlling unwanted vegetation without causing harm to crops. Additionally, this compound has shown promise in materials science as a building block for advanced polymers and coatings with tailored properties.

Recent studies have also explored the potential of this compound in drug discovery. Its unique structure has been found to interact with certain biological targets, making it a candidate for developing new therapeutic agents. Researchers are currently investigating its role as an inhibitor of specific enzymes involved in metabolic pathways linked to chronic diseases such as cancer and diabetes.

The growing demand for sustainable agricultural practices has further highlighted the importance of compounds like (2,4-difluorophenoxy)acetic Acid Methyl Ester. Its role as an intermediate for eco-friendly herbicides aligns with the need for reducing chemical residues in the environment while maintaining crop productivity.

In conclusion, (2,4-difluorophenoxy)acetic Acid Methyl Ester (CAS No: 449811-63-6) is a versatile compound with a wide range of applications across multiple industries. Its unique chemical properties and recent advancements in synthesis methods make it an essential component in modern chemical research and development.

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