Cas no 1379300-37-4 (Methyl 2,6-difluoro-3-methoxybenzoate)

Methyl 2,6-difluoro-3-methoxybenzoate is a fluorinated aromatic ester with a molecular formula of C9H8F2O3. This compound features a benzoate core substituted with two fluorine atoms at the 2- and 6-positions and a methoxy group at the 3-position, enhancing its reactivity and selectivity in synthetic applications. Its structural properties make it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing complex fluorinated molecules. The electron-withdrawing effects of the fluorine substituents improve its stability and compatibility with various reaction conditions. The methoxy group further contributes to its versatility in functionalization. This compound is typically characterized by high purity and consistent performance in organic transformations.
Methyl 2,6-difluoro-3-methoxybenzoate structure
1379300-37-4 structure
Product Name:Methyl 2,6-difluoro-3-methoxybenzoate
CAS No:1379300-37-4
MF:C9H8F2O3
MW:202.154829978943
MDL:MFCD11520395
CID:4951151
Update Time:2026-02-27

Methyl 2,6-difluoro-3-methoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,6-difluoro-3-methoxybenzoate
    • MDL: MFCD11520395
    • Inchi: 1S/C9H8F2O3/c1-13-6-4-3-5(10)7(8(6)11)9(12)14-2/h3-4H,1-2H3
    • InChI Key: SOKSSIXTTJVYDM-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=C(C=1C(=O)OC)F)OC

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 2,6-difluoro-3-methoxybenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015013465-250mg
Methyl 2,6-difluoro-3-methoxybenzoate
1379300-37-4 97%
250mg
504.00 USD 2021-06-21
Alichem
A015013465-500mg
Methyl 2,6-difluoro-3-methoxybenzoate
1379300-37-4 97%
500mg
806.85 USD 2021-06-21
Alichem
A015013465-1g
Methyl 2,6-difluoro-3-methoxybenzoate
1379300-37-4 97%
1g
1,519.80 USD 2021-06-21
abcr
AB517768-500 mg
Methyl 2,6-difluoro-3-methoxybenzoate
1379300-37-4
500MG
€242.40 2023-04-17
abcr
AB517768-1 g
Methyl 2,6-difluoro-3-methoxybenzoate
1379300-37-4
1g
€320.30 2023-04-17
abcr
AB517768-500mg
Methyl 2,6-difluoro-3-methoxybenzoate
1379300-37-4
500mg
€242.40 2023-09-02
abcr
AB517768-1g
Methyl 2,6-difluoro-3-methoxybenzoate; .
1379300-37-4
1g
€280.90 2025-02-15
Ambeed
A695512-1g
Methyl 2,6-difluoro-3-methoxybenzoate
1379300-37-4 95%
1g
$267.0 2024-04-24
abcr
AB517768-250mg
Methyl 2,6-difluoro-3-methoxybenzoate; .
1379300-37-4
250mg
€166.80 2025-02-15
abcr
AB517768-5g
Methyl 2,6-difluoro-3-methoxybenzoate; .
1379300-37-4
5g
€868.50 2025-02-15

Methyl 2,6-difluoro-3-methoxybenzoate Related Literature

Additional information on Methyl 2,6-difluoro-3-methoxybenzoate

Methyl 2,6-difluoro-3-methoxybenzoate (CAS No. 1379300-37-4): A Comprehensive Overview in Modern Chemical Research

Methyl 2,6-difluoro-3-methoxybenzoate, identified by the chemical compound identifier CAS No. 1379300-37-4, represents a significant compound in the realm of pharmaceutical and chemical research. This compound, characterized by its unique structural and functional attributes, has garnered considerable attention due to its potential applications in drug development and synthetic chemistry.

The molecular structure of Methyl 2,6-difluoro-3-methoxybenzoate consists of a benzoate core substituted with fluorine and methoxy groups. The presence of these fluorine atoms at the 2 and 6 positions enhances the electronic properties of the molecule, making it a valuable intermediate in the synthesis of more complex organic compounds. The methoxy group at the 3 position introduces polarity and influences the compound's solubility and reactivity.

In recent years, Methyl 2,6-difluoro-3-methoxybenzoate has been explored for its role in the development of novel therapeutic agents. Its structural motifs are reminiscent of several bioactive molecules, suggesting potential applications in areas such as anti-inflammatory, antiviral, and anticancer therapies. The fluorine atoms, in particular, are known to improve metabolic stability and binding affinity to biological targets, making this compound a promising candidate for further investigation.

One of the most intriguing aspects of Methyl 2,6-difluoro-3-methoxybenzoate is its utility in cross-coupling reactions, which are fundamental to modern organic synthesis. The benzoate moiety serves as an excellent substrate for palladium-catalyzed reactions, enabling the formation of carbon-carbon bonds with high efficiency. These reactions are pivotal in constructing complex molecular architectures, which are often required for the development of new drugs.

Recent studies have highlighted the importance of fluorinated aromatic compounds in medicinal chemistry. The electron-withdrawing nature of fluorine atoms can modulate the electronic distribution within a molecule, thereby influencing its pharmacokinetic properties. This has led to increased interest in compounds like Methyl 2,6-difluoro-3-methoxybenzoate as building blocks for drug discovery programs.

The synthesis of Methyl 2,6-difluoro-3-methoxybenzoate involves multi-step organic transformations that showcase the ingenuity of synthetic chemists. Starting from commercially available precursors, a series of functional group interconversions are employed to introduce the desired fluorine and methoxy substituents. These synthetic routes often involve palladium catalysts and transition-metal complexes, which facilitate key transformations under mild conditions.

The pharmaceutical industry has shown particular interest in fluorinated benzoates due to their versatility and biocompatibility. Methyl 2,6-difluoro-3-methoxybenzoate serves as a versatile intermediate that can be further modified to produce a wide range of derivatives with tailored biological activities. This flexibility makes it an indispensable tool in the arsenal of medicinal chemists.

In conclusion, Methyl 2,6-difluoro-3-methoxybenzoate (CAS No. 1379300-37-4) is a compound of significant interest in modern chemical research. Its unique structural features and reactivity make it a valuable asset in pharmaceutical development and synthetic chemistry. As research continues to uncover new applications for this compound, its importance is likely to grow even further.

Recommended suppliers
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd