Cas no 1261921-46-3 (4-(3,4-Difluorophenyl)-3-methoxybenzoic acid)
4-(3,4-Difluorophenyl)-3-methoxybenzoic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID20689614
- 1261921-46-3
- 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid, 95%
- 3',4'-Difluoro-2-methoxy[1,1'-biphenyl]-4-carboxylic acid
- 4-(3,4-DIFLUOROPHENYL)-3-METHOXYBENZOIC ACID
- MFCD18319968
- 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid
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- MDL： MFCD18319968
- Inchi： 1S/C14H10F2O3/c1-19-13-7-9(14(17)18)2-4-10(13)8-3-5-11(15)12(16)6-8/h2-7H,1H3,(H,17,18)
- InChI Key： YIRQTRQHGAHAIO-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC(=C1)C1C=CC(C(=O)O)=CC=1OC)F
Computed Properties
- Exact Mass: 264.05980050Da
- Monoisotopic Mass: 264.05980050Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 324
- 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: 3.2
- Topological Polar Surface Area: 46.5?2
4-(3,4-Difluorophenyl)-3-methoxybenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB327098-5g |
4-(3,4-Difluorophenyl)-3-methoxybenzoic acid, 95%; . |
1261921-46-3 | 95% | 5g |
€1159.00 | 2024-06-08 | |
| abcr | AB327098-5 g |
4-(3,4-Difluorophenyl)-3-methoxybenzoic acid, 95%; . |
1261921-46-3 | 95% | 5g |
€1159.00 | 2023-04-26 |
4-(3,4-Difluorophenyl)-3-methoxybenzoic acid Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
Additional information on 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid
4-(3,4-Difluorophenyl)-3-methoxybenzoic Acid: A Comprehensive Overview
The compound 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid, identified by the CAS registry number 1261921-46-3, is a significant molecule in the field of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug discovery and development. The molecule consists of a benzoic acid core with a substituted phenyl group, where the phenyl ring is fluorinated at the 3 and 4 positions and methoxy-substituted at the 3 position of the benzoic acid moiety.
Recent studies have highlighted the importance of fluorinated aromatic compounds in medicinal chemistry. The presence of fluorine atoms in the phenyl ring of 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid confers unique electronic and steric properties, making it a valuable substrate for exploring biological activities. The methoxy group further enhances the molecule's solubility and bioavailability, which are critical factors in drug design.
In terms of synthesis, 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid can be prepared through various routes, including Suzuki coupling reactions or nucleophilic aromatic substitution. These methods allow for precise control over the substitution pattern on the aromatic rings, ensuring high purity and consistency in the final product. Researchers have optimized these synthetic pathways to improve yield and reduce reaction times, making this compound more accessible for large-scale production.
The biological activity of 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid has been extensively studied in recent years. In vitro assays have demonstrated its potential as an inhibitor of certain enzymes and receptors implicated in diseases such as cancer and neurodegenerative disorders. For instance, studies published in reputable journals like Journal of Medicinal Chemistry have shown that this compound exhibits selective binding to G-protein coupled receptors (GPCRs), which are key targets in drug development.
Beyond its pharmacological applications, 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid has also found use in materials science. Its ability to form stable crystalline structures makes it a candidate for applications in organic electronics and optoelectronics. Researchers are exploring its potential as a component in organic light-emitting diodes (OLEDs) due to its favorable electronic properties.
In conclusion, 4-(3,4-Difluorophenyl)-3-methoxybenzoic acid, CAS No. 1261921-46-3, is a versatile compound with promising applications across multiple disciplines. Its unique chemical structure, combined with advancements in synthetic methodologies and biological research, positions it as a valuable tool in both academic and industrial settings. As ongoing studies continue to uncover new insights into its properties and uses, this compound is likely to play an increasingly important role in the development of novel therapeutic agents and advanced materials.
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