Cas no 1534389-85-9 (Methyl 2,4-difluoro-6-methoxybenzoate)

Methyl 2,4-difluoro-6-methoxybenzoate is a fluorinated aromatic ester with the molecular formula C9H8F2O3. This compound is characterized by its difluoro and methoxy substituents on the benzoate ring, which enhance its reactivity and utility in synthetic organic chemistry. Its structural features make it a valuable intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The electron-withdrawing fluorine atoms and electron-donating methoxy group contribute to its versatility in cross-coupling reactions and nucleophilic substitutions. The ester functionality further allows for straightforward derivatization. This compound is typically supplied with high purity, ensuring consistent performance in research and industrial applications.
Methyl 2,4-difluoro-6-methoxybenzoate structure
1534389-85-9 structure
Product Name:Methyl 2,4-difluoro-6-methoxybenzoate
CAS No:1534389-85-9
MF:C9H8F2O3
MW:202.154829978943
CID:4951152
Update Time:2025-06-09

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

Names and Identifiers

    • methyl 2,4-difluoro-6-methoxybenzoate
    • Methyl 2,4-difluoro-6-methoxybenzoate
    • Inchi: 1S/C9H8F2O3/c1-13-7-4-5(10)3-6(11)8(7)9(12)14-2/h3-4H,1-2H3
    • InChI Key: WWXCJZTVGISDRP-UHFFFAOYSA-N
    • SMILES: FC1=CC(=CC(=C1C(=O)OC)OC)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 210
  • XLogP3: 1.9
  • Topological Polar Surface Area: 35.5

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

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015013463-250mg
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1534389-85-9 97%
250mg
489.60 USD 2021-06-21
Alichem
A015013463-500mg
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1534389-85-9 97%
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847.60 USD 2021-06-21
Alichem
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Methyl 2,4-difluoro-6-methoxybenzoate
1534389-85-9 97%
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Additional information on Methyl 2,4-difluoro-6-methoxybenzoate

Methyl 2,4-difluoro-6-methoxybenzoate (CAS No. 1534389-85-9): A Comprehensive Overview

Methyl 2,4-difluoro-6-methoxybenzoate, identified by its CAS number 1534389-85-9, is a fluorinated aromatic ester that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, characterized by its unique structural features, exhibits a range of potential applications that span from medicinal chemistry to material science. The presence of both fluoro and methoxy substituents in its molecular framework imparts distinct chemical properties, making it a subject of extensive study and exploration.

The molecular structure of Methyl 2,4-difluoro-6-methoxybenzoate consists of a benzoate core substituted with two fluorine atoms at the 2- and 4-positions and a methoxy group at the 6-position. This specific arrangement contributes to its reactivity and interaction with biological systems. The fluoro groups, in particular, are known for their ability to modulate metabolic pathways and enhance binding affinity, which has been leveraged in the development of various therapeutic agents.

In recent years, the pharmaceutical industry has shown increasing interest in fluorinated compounds due to their improved pharmacokinetic profiles and metabolic stability. Methyl 2,4-difluoro-6-methoxybenzoate is no exception and has been investigated for its potential role in drug design. Its ability to act as a key intermediate in synthesizing more complex molecules has made it valuable in the development of novel treatments for various diseases.

One of the most compelling aspects of Methyl 2,4-difluoro-6-methoxybenzoate is its versatility in chemical transformations. The ester functionality allows for further derivatization, enabling researchers to create a diverse array of analogs with tailored properties. These derivatives can then be tested for their biological activity, leading to the discovery of new pharmacological entities.

The synthesis of Methyl 2,4-difluoro-6-methoxybenzoate typically involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that the final product meets the stringent requirements of pharmaceutical applications. Techniques such as palladium-catalyzed cross-coupling reactions and fluorination methods have been particularly useful in constructing the desired molecular framework.

Recent studies have highlighted the role of fluorinated benzoates in medicinal chemistry. For instance, derivatives of Methyl 2,4-difluoro-6-methoxybenzoate have been explored for their anti-inflammatory and anti-cancer properties. The fluoro groups enhance the lipophilicity of these compounds, improving their absorption and distribution within biological systems. Additionally, the methoxy group contributes to selective interactions with target enzymes and receptors, increasing the efficacy of these therapeutic agents.

The chemical properties of Methyl 2,4-difluoro-6-methoxybenzoate also make it a valuable tool in material science. Its ability to form stable complexes with other molecules has been utilized in the development of novel materials with enhanced functional properties. These materials find applications in areas such as catalysis, sensors, and advanced polymers.

In conclusion, Methyl 2,4-difluoro-6-methoxybenzoate (CAS No. 1534389-85-9) is a multifaceted compound with significant potential in both pharmaceuticals and materials science. Its unique structural features and chemical properties have positioned it as a key player in ongoing research efforts aimed at developing new treatments and innovative materials. As scientific understanding continues to evolve, it is likely that even more applications for this compound will be uncovered.

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