Cas no 1261944-10-8 (2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol)
2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol Chemical and Physical Properties
Names and Identifiers
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- 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol
- 2-FLUORO-5-(3-FLUORO-4-HYDROXYPHENYL)PHENOL
- MFCD18313648
- DTXSID20684184
- 2-Fluoro-5-(3-fluoro-4-hydroxyphenyl)phenol, 95%
- 3',4-Difluoro[1,1'-biphenyl]-3,4'-diol
- 1261944-10-8
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- MDL: MFCD18313648
- Inchi: 1S/C12H8F2O2/c13-9-3-1-8(6-12(9)16)7-2-4-11(15)10(14)5-7/h1-6,15-16H
- InChI Key: JTEXSNFKQPJGFS-UHFFFAOYSA-N
- SMILES: FC1=C(C=CC(=C1)C1C=CC(=C(C=1)O)F)O
Computed Properties
- Exact Mass: 222.04923582g/mol
- Monoisotopic Mass: 222.04923582g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 237
- 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
- Topological Polar Surface Area: 40.5?2
2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB319680-5 g |
2-Fluoro-5-(3-fluoro-4-hydroxyphenyl)phenol, 95%; . |
1261944-10-8 | 95% | 5 g |
€1,159.00 | 2023-07-19 | |
| abcr | AB319680-5g |
2-Fluoro-5-(3-fluoro-4-hydroxyphenyl)phenol, 95%; . |
1261944-10-8 | 95% | 5g |
€1159.00 | 2025-04-21 |
2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
Additional information on 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol
Introduction to 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol (CAS No. 1261944-10-8)
2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol, identified by the Chemical Abstracts Service Number (CAS No.) 1261944-10-8, is a fluorinated aromatic phenol derivative that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to a class of molecules characterized by the presence of multiple fluorine atoms, which are strategically incorporated to modulate the electronic properties, metabolic stability, and biological activity of the parent structure. The specific arrangement of fluorine substituents in 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol contributes to its unique chemical profile, making it a promising candidate for further exploration in drug discovery and development.
The structural motif of 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol consists of a central benzene ring substituted at the 2-position with a fluorine atom and at the 4-position with a hydroxylated phenyl group. The 4-position phenyl ring is further modified by another fluorine atom, creating a bifluorinated aromatic system. This structural configuration is not arbitrary but rather the result of careful molecular design aimed at enhancing pharmacological properties. The presence of both hydroxyl and fluoro groups introduces polarity and hydrogen bonding potential, which can influence solubility, binding affinity, and interactions with biological targets.
In recent years, fluorinated aromatic compounds have been extensively studied due to their ability to improve drug-like characteristics such as lipophilicity, metabolic stability, and target binding affinity. The introduction of fluorine atoms can lead to increased bioavailability and reduced susceptibility to enzymatic degradation, making these compounds valuable in the development of therapeutic agents. Specifically, 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol represents an advanced scaffold that combines the advantages of both hydroxylated and fluoro-substituted aromatic systems, positioning it as a versatile building block for medicinal chemists.
One of the most compelling aspects of 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol is its potential application in the design of novel pharmaceuticals. The compound's dual functionality—hydroxyl and fluoro groups—makes it amenable to further derivatization through various chemical transformations, such as etherification, esterification, or coupling reactions. These modifications can be tailored to optimize specific pharmacokinetic or pharmacodynamic profiles, enabling the development of targeted therapies for a range of diseases.
Recent advancements in computational chemistry and molecular modeling have facilitated the rapid screening and optimization of fluorinated phenols like 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol. High-throughput virtual screening (HTVS) and structure-based drug design (SBDD) techniques have allowed researchers to predict binding interactions with biological targets with high precision. These computational approaches have been instrumental in identifying lead compounds that exhibit promising activity against various disease-related proteins and enzymes. For instance, studies suggest that derivatives of this compound may interact with enzymes involved in inflammatory pathways or metabolic processes, offering potential therapeutic benefits.
The biological activity of 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol has been explored in several preclinical studies. Initial investigations indicate that this compound exhibits moderate antioxidant properties due to the presence of the hydroxyl group, which is known to participate in redox reactions. Additionally, the fluoro substituents may enhance its interaction with certain receptors or enzymes by influencing electronic distribution across the aromatic system. While comprehensive pharmacological profiling is still under way, these preliminary findings highlight the compound's potential as a scaffold for further drug development.
The synthesis of 2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol presents an interesting challenge due to the need for precise regioselective functionalization at multiple positions on the aromatic ring. Advanced synthetic methodologies, including transition-metal-catalyzed cross-coupling reactions and palladium-mediated transformations, have been employed to construct the desired structure efficiently. These synthetic strategies not only ensure high yield but also allow for scalability, which is crucial for industrial applications in pharmaceutical manufacturing.
In conclusion,2-fluoro-4-(4-fluoro-3-hydroxyphenyl)phenol (CAS No. 1261944-10-8) represents a fascinating example of how structural modifications can enhance pharmacological properties. Its unique combination of hydroxyl and fluoro substituents makes it a versatile intermediate for drug discovery efforts targeting various therapeutic areas. As research in this field continues to evolve,this compound is likely to play an increasingly important role in developing next-generation pharmaceuticals with improved efficacy and safety profiles.
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