Cas no 1783342-68-6 (6-Fluoro-2-hydroxy-3-methylbenzoic acid)
6-Fluoro-2-hydroxy-3-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- E92270
- SCHEMBL5002680
- 1783342-68-6
- EN300-23909581
- Z1504689050
- MFCD22415140
- CS-0191157
- 6-fluoro-2-hydroxy-3-methylbenzoic acid
- 6-Fluoro-2-hydroxy-3-methylbenzoic acid
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- MDL: MFCD22415140
- Inchi: 1S/C8H7FO3/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
- InChI Key: HOEHKEWFNWTQTE-UHFFFAOYSA-N
- SMILES: FC1C=CC(C)=C(C=1C(=O)O)O
Computed Properties
- Exact Mass: 170.03792224g/mol
- Monoisotopic Mass: 170.03792224g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 183
- 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: 2.1
- Topological Polar Surface Area: 57.5?2
6-Fluoro-2-hydroxy-3-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-23909581-1g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95% | 1g |
$943.0 | 2023-09-15 | |
| Enamine | EN300-23909581-5g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95% | 5g |
$2732.0 | 2023-09-15 | |
| Enamine | EN300-23909581-10g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95% | 10g |
$4052.0 | 2023-09-15 | |
| Enamine | EN300-23909581-0.05g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95.0% | 0.05g |
$176.0 | 2025-02-20 | |
| Enamine | EN300-23909581-0.1g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95.0% | 0.1g |
$262.0 | 2025-02-20 | |
| Enamine | EN300-23909581-0.25g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95.0% | 0.25g |
$375.0 | 2025-02-20 | |
| Enamine | EN300-23909581-0.5g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95.0% | 0.5g |
$590.0 | 2025-02-20 | |
| Enamine | EN300-23909581-1.0g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95.0% | 1.0g |
$757.0 | 2025-02-20 | |
| Enamine | EN300-23909581-2.5g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95.0% | 2.5g |
$1409.0 | 2025-02-20 | |
| Enamine | EN300-23909581-5.0g |
6-fluoro-2-hydroxy-3-methylbenzoic acid |
1783342-68-6 | 95.0% | 5.0g |
$2497.0 | 2025-02-20 |
6-Fluoro-2-hydroxy-3-methylbenzoic acid Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Additional information on 6-Fluoro-2-hydroxy-3-methylbenzoic acid
6-Fluoro-2-hydroxy-3-methylbenzoic acid (CAS No. 1783342-68-6): A Comprehensive Overview
The compound 6-Fluoro-2-hydroxy-3-methylbenzoic acid (CAS No. 1783342-68-6) is a biologically active aromatic compound with significant potential in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound has garnered attention due to its unique structural features and promising applications in drug discovery and development. Recent advancements in synthetic methodologies and computational modeling have further enhanced our understanding of its properties and utility.
Structure and Physical Properties: The molecular structure of 6-fluoro-2-hydroxy-3-methylbenzoic acid consists of a benzoic acid moiety with substituents at positions 2, 3, and 6. The hydroxyl group at position 2, the methyl group at position 3, and the fluoro group at position 6 create a unique electronic environment that influences its reactivity and biological activity. The compound has a molecular weight of approximately 190 g/mol and is sparingly soluble in water but soluble in organic solvents such as dichloromethane and ethyl acetate.
Synthesis and Optimization: The synthesis of 6-fluoro-2-hydroxy-3-methylbenzoic acid involves multi-step processes that often begin with the preparation of the corresponding fluorinated benzene derivative. Recent studies have focused on optimizing these synthetic routes to improve yield, reduce costs, and minimize environmental impact. For instance, researchers have explored the use of microwave-assisted synthesis and catalytic systems to streamline the reaction steps.
Biological Activity: One of the most compelling aspects of 6-fluoro-2-hydroxy-3-methylbenzoic acid is its potential as a lead compound in drug discovery. Preclinical studies have demonstrated its ability to modulate key enzymes and receptors involved in inflammatory diseases, neurodegenerative disorders, and cancer. For example, a study published in *Journal of Medicinal Chemistry* highlighted its anti-inflammatory properties by inhibiting COX enzymes. Furthermore, computational docking studies suggest that this compound could serve as a template for designing more potent analogs with improved pharmacokinetic profiles.
Applications in Materials Science: Beyond its biological applications, 6-fluoro-2-hydroxy-3-methylbenzoic acid has shown promise in materials science. Its ability to form stable metal complexes has led to investigations into its use as a ligand in coordination chemistry. Recent research has explored its role in constructing metalloporphyrins with potential applications in catalysis and sensing technologies.
Safety and Handling: While 6-fluoro-2-hydroxy-3-methylbenzoic acid is not classified as a hazardous chemical under current regulations, it is essential to handle it with care due to its potential irritant properties. Proper personal protective equipment should be used during synthesis and handling to minimize exposure risks.
In conclusion, 6-fluoro-2-hydroxy-3-methylbenzoic acid (CAS No. 1783342-68-6) stands out as a versatile compound with multifaceted applications across various scientific domains. Ongoing research continues to uncover new insights into its properties, synthesis methods, and biological activities, positioning it as a valuable asset in both academic and industrial settings.
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