Cas no 1379300-37-4 (Methyl 2,6-difluoro-3-methoxybenzoate)
Methyl 2,6-difluoro-3-methoxybenzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2,6-difluoro-3-methoxybenzoate
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- 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
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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.
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