Cas no 1225744-45-5 (4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid)
4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
- 5',6-Difluoro-2'-methoxy[1,1'-biphenyl]-3-carboxylic acid
- DTXSID60680827
- 1225744-45-5
- 4-Fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid, 95%
- MFCD16484463
-
- MDL: MFCD16484463
- Inchi: 1S/C14H10F2O3/c1-19-13-5-3-9(15)7-11(13)10-6-8(14(17)18)2-4-12(10)16/h2-7H,1H3,(H,17,18)
- InChI Key: JJMBRHISWZXIOI-UHFFFAOYSA-N
- SMILES: FC1=CC=C(C(=O)O)C=C1C1C=C(C=CC=1OC)F
Computed Properties
- Exact Mass: 264.05980050g/mol
- Monoisotopic Mass: 264.05980050g/mol
- 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-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB327890-5 g |
4-Fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid, 95%; . |
1225744-45-5 | 95% | 5 g |
€1,159.00 | 2023-07-19 | |
| abcr | AB327890-5g |
4-Fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid, 95%; . |
1225744-45-5 | 95% | 5g |
€1159.00 | 2025-02-14 |
4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
Additional information on 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
4-Fluoro-3-(5-Fluoro-2-Methoxyphenyl)Benzoic Acid (CAS No. 1225744-45-5): A Comprehensive Overview
4-Fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid (CAS No. 1225744-45-5) is a fluorinated aromatic carboxylic acid derivative that has garnered significant attention in pharmaceutical and material science research. This compound, characterized by its unique fluoro-substituted benzene rings and methoxy group, serves as a versatile intermediate in organic synthesis. Its molecular structure combines two key pharmacophores – the benzoic acid moiety and the difluorinated diphenyl ether system – making it particularly valuable for drug discovery applications.
The growing interest in fluorinated organic compounds like 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid stems from their enhanced metabolic stability and membrane permeability compared to non-fluorinated analogs. Recent studies highlight how the strategic placement of fluorine atoms in pharmaceutical compounds can significantly improve their bioavailability and target binding affinity. This explains why researchers frequently search for terms like "fluorinated drug intermediates" and "CAS 1225744-45-5 applications" when exploring novel therapeutic agents.
From a chemical perspective, 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid exhibits several noteworthy properties. The compound typically appears as a white to off-white crystalline powder with moderate solubility in polar organic solvents. Its molecular weight of 264.22 g/mol and the presence of both electron-withdrawing fluorine groups and electron-donating methoxy group create interesting electronic effects that influence its reactivity. These characteristics make it valuable for researchers investigating "structure-activity relationships" in medicinal chemistry.
The synthetic applications of CAS 1225744-45-5 are particularly relevant in current pharmaceutical research trends. Many drug discovery programs utilize this compound as a building block for kinase inhibitors and GPCR modulators, addressing the growing demand for treatments in oncology and neurological disorders. The presence of both carboxylic acid and aryl fluoride functionalities allows for diverse derivatization possibilities, enabling the creation of compound libraries for high-throughput screening.
Recent advancements in fluorine chemistry have further increased the importance of compounds like 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid. Approximately 30% of all FDA-approved drugs now contain fluorine atoms, reflecting the pharmaceutical industry's focus on this element. This trend aligns with frequent search queries such as "fluorine in drug design" and "benzoic acid derivatives in medicine," demonstrating the compound's relevance to current research priorities.
In material science applications, 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid serves as a precursor for liquid crystal materials and organic electronic components. The compound's ability to influence molecular packing through its dipolar character and hydrogen bonding capacity makes it valuable for developing advanced materials with tailored optoelectronic properties. Researchers exploring "fluorinated organic semiconductors" often encounter this compound in their literature reviews.
The commercial availability of CAS 1225744-45-5 through specialty chemical suppliers has facilitated its adoption across various research fields. Current market analysis indicates growing demand for high-purity samples of this compound, particularly from pharmaceutical companies engaged in small molecule drug development. Quality specifications typically emphasize parameters like HPLC purity (>98%) and residual solvent content, reflecting its use in sensitive applications.
From a safety perspective, proper handling of 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid requires standard laboratory precautions. While not classified as highly hazardous, researchers should consult the compound's SDS (Safety Data Sheet) and employ appropriate personal protective equipment when working with the material. These precautions align with industry best practices for handling organic synthesis intermediates.
The future outlook for 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid appears promising, particularly in light of emerging therapeutic areas like targeted protein degradation and allosteric modulator development. Its structural features make it well-suited for incorporation into PROTAC molecules and other novel drug modalities. This potential explains the increasing number of patent applications referencing CAS 1225744-45-5 in recent years.
For researchers seeking additional information about 4-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid, key resources include chemical databases (SciFinder, Reaxys), patent literature, and specialized publications on fluorine chemistry. The compound's unique combination of fluorine substitution patterns and functional group compatibility ensures its continued relevance in both academic and industrial research settings.
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