Cas no 1261854-45-8 (2-Hydroxy-6-(trifluoromethoxy)anisole)
2-Hydroxy-6-(trifluoromethoxy)anisole Chemical and Physical Properties
Names and Identifiers
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- 2-Hydroxy-6-(trifluoromethoxy)anisole
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- Inchi: 1S/C8H7F3O3/c1-13-7-5(12)3-2-4-6(7)14-8(9,10)11/h2-4,12H,1H3
- InChI Key: UXAKOMPNZZJIDM-UHFFFAOYSA-N
- SMILES: FC(OC1C=CC=C(C=1OC)O)(F)F
Computed Properties
- Exact Mass: 208.03472857 g/mol
- Monoisotopic Mass: 208.03472857 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- 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: 2.7
- Topological Polar Surface Area: 38.7
- Molecular Weight: 208.13
2-Hydroxy-6-(trifluoromethoxy)anisole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A014003371-250mg |
2-Hydroxy-6-(trifluoromethoxy)anisole |
1261854-45-8 | 97% | 250mg |
480.00 USD | 2021-06-22 | |
| Alichem | A014003371-500mg |
2-Hydroxy-6-(trifluoromethoxy)anisole |
1261854-45-8 | 97% | 500mg |
806.85 USD | 2021-06-22 | |
| Alichem | A014003371-1g |
2-Hydroxy-6-(trifluoromethoxy)anisole |
1261854-45-8 | 97% | 1g |
1,549.60 USD | 2021-06-22 |
2-Hydroxy-6-(trifluoromethoxy)anisole Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
Additional information on 2-Hydroxy-6-(trifluoromethoxy)anisole
Introduction to 2-Hydroxy-6-(trifluoromethoxy)anisole (CAS No. 1261854-45-8)
2-Hydroxy-6-(trifluoromethoxy)anisole, identified by its CAS number 1261854-45-8, is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the class of methoxy-substituted phenols, characterized by the presence of both hydroxyl and trifluoromethoxy functional groups, which contribute to its unique chemical properties and reactivity. The structural features of this molecule make it a valuable intermediate in the synthesis of various bioactive molecules, particularly in the development of novel therapeutic agents.
The trifluoromethoxy group in 2-Hydroxy-6-(trifluoromethoxy)anisole imparts enhanced lipophilicity and metabolic stability, which are critical factors in drug design. This modification has been widely explored in medicinal chemistry to improve pharmacokinetic profiles, such as bioavailability and half-life. The hydroxyl moiety, on the other hand, provides a site for further functionalization, enabling the synthesis of more complex derivatives with tailored biological activities. These structural attributes have made this compound a cornerstone in the development of small-molecule drugs targeting various diseases.
Recent advancements in computational chemistry and molecular modeling have further highlighted the potential of 2-Hydroxy-6-(trifluoromethoxy)anisole as a key intermediate. Studies have demonstrated that fluorinated aromatic compounds can exhibit improved binding affinity to biological targets due to their ability to modulate electronic distributions and hydrophobic interactions. For instance, computational studies have shown that derivatives of this compound can interact more effectively with enzymes and receptors involved in metabolic pathways, making them promising candidates for drug discovery.
In the realm of pharmaceutical research, 2-Hydroxy-6-(trifluoromethoxy)anisole has been investigated for its role in developing antiviral and anticancer agents. The trifluoromethoxy group is known to enhance the bioactivity of molecules by increasing their metabolic resistance and binding stability. Researchers have leveraged these properties to design inhibitors targeting viral proteases and kinases, which are crucial for viral replication and survival. Similarly, in oncology research, this compound has been explored as a precursor for synthesizing kinase inhibitors that disrupt cancer cell proliferation pathways.
The agrochemical industry has also recognized the significance of 2-Hydroxy-6-(trifluoromethoxy)anisole due to its potential as a building block for crop protection agents. Fluorinated phenols are known to exhibit herbicidal and pesticidal properties, making them effective against a broad spectrum of pests and weeds. By incorporating this compound into novel formulations, agrochemical companies aim to develop environmentally sustainable solutions that enhance crop yield while minimizing ecological impact.
From a synthetic chemistry perspective, 2-Hydroxy-6-(trifluoromethoxy)anisole serves as a versatile intermediate for constructing more complex molecules through various organic transformations. Its reactivity allows for selective functionalization at multiple sites, enabling the creation of diverse chemical libraries for high-throughput screening. This flexibility has been instrumental in accelerating drug discovery pipelines, particularly in academic and industrial research settings.
The growing interest in fluorinated compounds stems from their unique physicochemical properties that enhance drug-like characteristics. For example, fluorine atoms can increase metabolic stability by preventing rapid degradation by enzymes such as cytochrome P450 oxidases. Additionally, fluorine substitution can influence solubility and partition coefficients, optimizing drug delivery systems. These advantages have spurred extensive research into developing new synthetic methodologies for fluorinated aromatic compounds like 2-Hydroxy-6-(trifluoromethoxy)anisole.
Future directions in the study of 2-Hydroxy-6-(trifluoromethoxy)anisole may include exploring its applications in medicinal chemistry beyond traditional therapeutic areas. Emerging fields such as precision medicine and immunotherapy offer new opportunities for leveraging fluorinated compounds to develop targeted therapies with minimal side effects. Moreover, advancements in green chemistry principles may drive innovations in synthesizing this compound using sustainable methodologies, aligning with global efforts toward environmental conservation.
In conclusion,2-Hydroxy-6-(trifluoromethoxy)anisole (CAS No. 1261854-45-8) is a multifaceted compound with significant potential across pharmaceuticals, agrochemicals, and material sciences. Its unique structural features and reactivity make it an invaluable asset in synthetic chemistry and drug development. As research continues to uncover new applications and synthetic strategies, this compound is poised to play an increasingly important role in addressing global challenges in health and agriculture.
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