Cas no 1806984-50-8 (2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline)
2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline Chemical and Physical Properties
Names and Identifiers
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- 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline
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- Inchi: 1S/C7H5BrF3NO2/c8-3-1-5(13)6(2-4(3)12)14-7(9,10)11/h1-2,13H,12H2
- InChI Key: KZLHNUMXVBICKO-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(=CC=1N)OC(F)(F)F)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 202
- XLogP3: 2.8
- Topological Polar Surface Area: 55.5
2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013021725-250mg |
2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline |
1806984-50-8 | 97% | 250mg |
470.40 USD | 2021-06-24 | |
| Alichem | A013021725-500mg |
2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline |
1806984-50-8 | 97% | 500mg |
823.15 USD | 2021-06-24 | |
| Alichem | A013021725-1g |
2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline |
1806984-50-8 | 97% | 1g |
1,504.90 USD | 2021-06-24 |
2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
Additional information on 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline
Professional Introduction to 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline (CAS No. 1806984-50-8)
2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline, with the chemical formula C?H?BrF?NO?, is a significant compound in the field of pharmaceutical and agrochemical research. This compound belongs to the class of aromatic amines and features a unique structural arrangement that makes it a valuable intermediate in the synthesis of various biologically active molecules. The presence of multiple functional groups, including a bromo substituent, a hydroxyl group, and a trifluoromethoxy group, endows this molecule with diverse reactivity and potential applications.
The CAS No. 1806984-50-8 uniquely identifies this compound in scientific literature and databases, facilitating its accurate classification and retrieval for research purposes. The molecular structure of 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline consists of a benzene ring substituted with bromine at the 2-position, a hydroxyl group at the 4-position, and a trifluoromethoxy group at the 5-position. This specific arrangement contributes to its distinct chemical properties and reactivity patterns.
In recent years, there has been growing interest in 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline due to its potential role in the development of novel therapeutic agents. The trifluoromethoxy group, in particular, is known for its ability to enhance metabolic stability and binding affinity in drug candidates. This feature has made it a popular choice for medicinal chemists seeking to develop compounds with improved pharmacokinetic profiles.
Recent studies have highlighted the utility of 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline as a key intermediate in the synthesis of kinase inhibitors. Kinases are enzymes that play crucial roles in cell signaling pathways and are often targeted in the treatment of cancers and inflammatory diseases. By modifying the structure of this compound, researchers have been able to develop potent inhibitors that selectively target specific kinases, thereby reducing side effects and improving therapeutic efficacy.
Another area where 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline has shown promise is in the development of agrochemicals. The unique combination of functional groups in this molecule allows for its use as a precursor in the synthesis of herbicides and pesticides. These compounds are essential for protecting crops from pests and diseases, thereby ensuring food security and agricultural productivity.
The synthesis of 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline typically involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common synthetic routes include bromination of aniline derivatives followed by selective hydroxylation and trifluoromethylation. Advanced techniques such as palladium-catalyzed cross-coupling reactions have also been employed to improve synthetic efficiency.
In addition to its pharmaceutical applications, 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline has found utility in materials science. The presence of fluorine atoms in its structure contributes to its thermal stability and resistance to degradation, making it suitable for use in high-performance polymers and coatings.
The growing demand for 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline has led to increased industrial production and research efforts aimed at optimizing its synthesis and expanding its applications. Collaborative research initiatives between academia and industry are focused on developing novel synthetic methodologies that are more sustainable and cost-effective.
Future research directions for 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline include exploring its potential as an intermediate in the synthesis of next-generation therapeutics. Advances in computational chemistry and molecular modeling are expected to play a significant role in identifying new applications for this compound by predicting its interactions with biological targets.
The versatility of 2-Bromo-4-hydroxy-5-(trifluoromethoxy)aniline makes it a valuable tool for researchers across multiple disciplines. Its unique structural features and reactivity patterns continue to inspire innovation in pharmaceuticals, agrochemicals, and materials science. As our understanding of its properties grows, so too will its importance in addressing global challenges related to health, agriculture, and technology.
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