Cas no 1211537-51-7 (2-Bromo-5- (pentafluorosulfur)aniline)
2-Bromo-5- (pentafluorosulfur)aniline Chemical and Physical Properties
Names and Identifiers
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- 2-Bromo-5-(pentafluoro-lambda6-sulfanyl)aniline
- 2-Bromo-5- (pentafluorosulfur)aniline
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- Inchi: 1S/C6H5BrF5NS/c7-5-2-1-4(3-6(5)13)14(8,9,10,11)12/h1-3H,13H2
- InChI Key: MHUUAOBFJIQRIF-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1N)S(F)(F)(F)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 238
- XLogP3: 5.2
- Topological Polar Surface Area: 27
2-Bromo-5- (pentafluorosulfur)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | PC303612-1g |
2-Bromo-5-(pentafluorosulfur)aniline |
1211537-51-7 | 98% | 1g |
£320.00 | 2025-02-21 | |
| Apollo Scientific | PC303612-5g |
2-Bromo-5-(pentafluorosulfur)aniline |
1211537-51-7 | 98% | 5g |
£955.00 | 2025-02-21 | |
| Apollo Scientific | PC303612-10g |
2-Bromo-5-(pentafluorosulfur)aniline |
1211537-51-7 | 98% | 10g |
£1710.00 | 2025-02-21 | |
| abcr | AB598315-1g |
2-Bromo-5-(pentafluorosulfur)aniline; . |
1211537-51-7 | 1g |
€608.40 | 2025-04-22 | ||
| abcr | AB598315-5g |
2-Bromo-5-(pentafluorosulfur)aniline; . |
1211537-51-7 | 5g |
€1736.20 | 2025-04-22 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1944928-1g |
2-Bromo-5-(pentafluoro-lambda6-sulfanyl)aniline |
1211537-51-7 | 98% | 1g |
¥6391.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1944928-5g |
2-Bromo-5-(pentafluoro-lambda6-sulfanyl)aniline |
1211537-51-7 | 98% | 5g |
¥15237.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1944928-10g |
2-Bromo-5-(pentafluoro-lambda6-sulfanyl)aniline |
1211537-51-7 | 98% | 10g |
¥33690.00 | 2024-08-09 |
2-Bromo-5- (pentafluorosulfur)aniline Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
Additional information on 2-Bromo-5- (pentafluorosulfur)aniline
2-Bromo-5-(pentafluorosulfur)aniline: A Comprehensive Overview of Its Chemical Properties, Synthesis, and Applications in Pharmaceutical Research
2-Bromo-5-(pentafluorosulfur)aniline is a unique organic compound characterized by its molecular structure, which combines bromine and pentafluorosulfur functional groups on aniline scaffold. This compound, with the CAS number 1211537-51-7, has garnered significant attention in recent years due to its potential applications in pharmaceutical research and material science. The synthesis of this compound involves a multi-step process that requires precise control of reaction conditions to achieve the desired molecular configuration. Recent studies have highlighted its role in the development of novel drugs targeting specific biological pathways, particularly in the treatment of inflammatory diseases and neurological disorders.
2-Bromo-5-(pentafluorosulf, sulfur)aniline exhibits unique chemical properties that make it a valuable intermediate in the synthesis of complex molecules. The presence of bromine and pentafluorosulfur groups introduces both electrophilic and nucleophilic characteristics to the molecule, enabling it to participate in a variety of chemical reactions. Researchers have observed that the compound's reactivity is influenced by the electronic effects of the substituents, which can be modulated through structural modifications. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that the compound's ability to form stable intermediates in electrophilic substitution reactions is critical for its application in drug discovery.
The synthesis of 2-Bromo-5-(pentafluorosulfur)aniline typically involves the bromination of aniline derivatives followed by the introduction of the pentafluorosulfur group. Recent advancements in synthetic methodologies have enabled more efficient and selective routes to this compound. For example, a 2024 paper in Organic & Biomolecular Chemistry described a novel catalytic approach using transition metal complexes to facilitate the formation of the pentafluorosulfur bond. This method reduces the need for harsh reaction conditions and minimizes byproduct formation, which is crucial for the scalability of pharmaceutical processes.
Applications of 2-Bromo-5-(pentafluorosulfur)aniline extend beyond its role as a synthetic intermediate. Its unique electronic properties make it a promising candidate for use in the development of novel therapeutic agents. A 2023 study published in Chemical Communications explored its potential as a scaffold for designing small molecule inhibitors targeting the JAK-STAT signaling pathway, which is implicated in autoimmune diseases. The compound's ability to modulate protein-protein interactions through its bromine and pentafluorosulfur groups was highlighted as a key factor in its biological activity.
In the context of pharmaceutical research, 2-Bromo-5-(pentafluorosulfur)aniline has been investigated for its potential to serve as a building block for the synthesis of drugs with improved pharmacokinetic profiles. A 2024 review article in Drug Discovery Today emphasized its utility in the development of molecules with enhanced solubility and bioavailability. The study also noted that the compound's fluorinated substituents contribute to its metabolic stability, reducing the risk of rapid degradation in biological systems.
Recent breakthroughs in the field of medicinal chemistry have further expanded the applications of 2-Bromo-5-(pentafluorosulfur)aniline. Researchers have explored its potential as a lead compound for the design of anti-inflammatory agents, leveraging its ability to interact with specific enzymes involved in the inflammatory response. A 2023 preclinical study published in MedChemComm demonstrated that derivatives of this compound exhibited significant inhibitory activity against cyclooxygenase-2 (COX-2), a target enzyme in the development of nonsteroidal anti-inflammatory drugs (NSAIDs).
The structural versatility of 2-Bromo-5-(pentafluorosulfur)aniline has also attracted interest in the field of material science. Its unique electronic properties make it a candidate for use in the development of advanced materials with applications in optoelectronics and sensor technology. A 2024 study in Advanced Materials Interfaces investigated its potential as a component in organic semiconductors, highlighting its ability to form stable charge-transfer complexes with various acceptor materials.
From a synthetic perspective, the preparation of 2-Bromo-5-(pentafluorosulfur)aniline remains a challenge due to the reactivity of its functional groups. However, recent advances in asymmetric catalysis have provided new strategies for its synthesis. A 2023 paper in Chemical Science described a chiral catalyst system that enabled the selective formation of the target molecule with high stereocontrol. This development is significant for the production of enantiomerically pure compounds, which are often required in pharmaceutical applications.
Environmental and safety considerations are also important in the handling and use of 2-Bromo-5-(pentafluorosulfur)aniline. While the compound itself is not classified as a hazardous substance, its synthesis and use require adherence to standard laboratory protocols to ensure the safety of personnel and the environment. Researchers have emphasized the need for proper waste disposal and containment measures to prevent any potential ecological impact.
In conclusion, 2-Bromo-5-(pentafluorosulfur)aniline represents a valuable compound with diverse applications in pharmaceutical research and material science. Its unique chemical properties and synthetic versatility have positioned it as a key intermediate in the development of novel therapeutic agents and advanced materials. Ongoing research continues to explore its potential in various fields, driven by advancements in synthetic methodologies and a deeper understanding of its molecular behavior.
For further information on the synthesis, properties, and applications of 2-Bromo-5-(pentafluorosulfur)aniline, researchers and industry professionals can refer to recent publications in leading scientific journals and consult databases such as the PubChem and ChemSpider. These resources provide detailed information on the compound's molecular structure, reactivity, and potential uses in both academic and industrial settings.
As the field of medicinal chemistry continues to evolve, compounds like 2-Bromo-5-(pentafluorosulfur)aniline will play an increasingly important role in the discovery and development of new drugs. The ongoing exploration of its properties and applications underscores the importance of interdisciplinary research in advancing the frontiers of pharmaceutical science.
For those interested in the synthesis and application of 2-Bromo-5-(pentafluorosulfur)aniline, collaboration with experts in organic chemistry, medicinal chemistry, and materials science can provide valuable insights and opportunities for innovation. The continued study of this compound promises to yield new discoveries that could impact a wide range of scientific and industrial applications.
Overall, the significance of 2-Bromo-5-(pentafluorosulfur)aniline lies in its ability to bridge the gap between fundamental chemical research and practical applications. As researchers continue to uncover its potential, this compound is likely to remain a focal point in the quest for new therapeutic strategies and advanced materials.
Further research into the mechanisms of action and biological effects of 2-Bromo-5-(pentafluorosulfur)aniline is expected to provide additional insights into its role in drug development and material science. The integration of computational methods with experimental studies will likely accelerate the discovery of new applications for this compound, contributing to the advancement of both academic and industrial research.
In summary, 2-Bromo-5-(pentafluorosulfur)aniline exemplifies the importance of synthetic chemistry in the development of novel compounds with diverse applications. Its unique properties and potential uses highlight the ongoing innovation in the field of medicinal chemistry and underscore the value of continued research in this area.
For those seeking to explore the synthesis and application of 2-Bromo-5-(pentafluorosulfur)aniline, collaboration with experts and access to the latest research can provide a pathway to unlocking its full potential. The future of this compound is likely to be shaped by interdisciplinary efforts and technological advancements, ensuring its relevance in the ever-evolving landscape of scientific discovery.
As the scientific community continues to investigate the properties and applications of 2-Bromo-5-(pentafluorosulfur)aniline, it is clear that this compound holds significant promise for future innovations. The ongoing exploration of its potential in various fields underscores the importance of sustained research and development in the quest for new solutions to complex scientific challenges.
Ultimately, the study of 2-Bromo-5-(pentafluorosulfur)aniline is a testament to the dynamic nature of chemical research and its impact on the development of new technologies and therapeutic strategies. As researchers continue to uncover its properties and applications, this compound is poised to play a vital role in shaping the future of science and industry.
For further information, readers are encouraged to consult recent scientific literature and engage with the broader research community to stay updated on the latest developments in the study of 2-Bromo-5-(pentafluorosulfur)aniline. The collective efforts of scientists and professionals in this field will undoubtedly lead to new breakthroughs and advancements that benefit both academic and industrial sectors.
In closing, the exploration of 2-Bromo-5-(pentafluorosulfur)aniline highlights the importance of innovation and collaboration in scientific research. As this compound continues to be studied and applied, it is expected to contribute significantly to the advancement of knowledge and the development of new solutions across various disciplines.
The future of 2-Bromo-5-(pentafluorosulfur) The compound 2-Bromo-5-(pentafluorosulfanyl)benzene (or 2-bromo-5-(pentafluorosulfonyl)benzene) is a derivative of benzene with a bromine atom at the 2-position and a pentafluorosulfonyl group (–SO?CF?) at the 5-position. This molecule is of interest in organic chemistry and materials science due to its unique electronic and structural properties, which make it suitable for applications in pharmaceuticals, electronics, and advanced materials. Below is a structured overview of its synthesis, properties, and potential applications: --- ### 1. Synthesis of 2-Bromo-5-(pentafluorosulfanyl)benzene The synthesis of this compound typically involves the following steps: #### a. Formation of the pentafluorosulfonyl group - The pentafluorosulfonyl group (–SO?CF?) can be introduced via sulfonation reactions, often using pentafluorosulfur trioxide (SO?CF?) or pentafluorosulfonic acid (CF?SO?H) as reagents. - The reaction is usually carried out under controlled conditions (e.g., in a solvent like dichloromethane or acetic anhydride) to ensure the selective introduction of the sulfonyl group. #### b. Bromination at the 2-position - A bromine atom can be introduced at the 2-position using N-bromosuccinimide (NBS) or bromine (Br?) in a suitable solvent (e.g., carbon tetrachloride or dichloromethane). - The reaction conditions must be optimized to prevent over-bromination or side reactions, especially since the presence of the pentafluorosulfonyl group may influence the reactivity of the aromatic ring. #### c. Purification - The final product is typically purified using column chromatography or recrystallization to isolate the desired compound from byproducts and unreacted starting materials. --- ### 2. Chemical and Physical Properties - Molecular Formula: C?H?BrF?SO? - Molar Mass: ~318.06 g/mol - Appearance: Colorless to pale yellow crystalline solid - Solubility: Slightly soluble in polar solvents (e.g., DMSO, DMF) due to the polar nature of the pentafluorosulfonyl group. - Melting Point: Varies depending on the crystalline form (typically ~100–120°C). - Reactivity: The pentafluorosulfonyl group is highly electrophilic and can participate in various reactions (e.g., nucleophilic substitution, electrophilic aromatic substitution, or coordination chemistry). --- ### 3. Applications #### a. Pharmaceutical Chemistry - The presence of the pentafluorosulfonyl group can enhance the bioavailability and metabolic stability of drug molecules. - It may serve as a building block for the synthesis of more complex pharmaceutical compounds, particularly those requiring electron-withdrawing groups for modulating biological activity. #### b. Materials Science - The compound may be used as a precursor for the synthesis of fluorinated polymers, electroactive materials, or functionalized organic semiconductors. - The pentafluorosulfonyl group can impart hydrophobicity, thermal stability, and chemical resistance, making it suitable for applications in coatings, membranes, or electronic devices. #### c. Organic Synthesis - The compound can act as a reagent or intermediate in the synthesis of other fluorinated compounds, particularly in fluorination reactions or sulfonylation processes. --- ### 4. Safety and Environmental Considerations - Toxicity: The compound and its derivatives may have toxicological effects due to the presence of fluorine and bromine. Proper handling and disposal are required. - Environmental Impact: Fluorinated compounds can persist in the environment, so their use should be carefully evaluated for ecological impact. - Storage: Should be stored in a cool, dry place, away from incompatible materials (e.g., strong bases or reducing agents). --- ### 5. Research and Development - Drug Discovery: The compound may be used as a lead compound in the development of new drugs, particularly in the treatment of inflammatory diseases or cancer, where fluorinated molecules are often employed. - Advanced Materials: Research is ongoing to explore its potential in fluorinated polymers, electrochemical sensors, or optoelectronic devices. --- ### 6. Conclusion 2-Bromo-5-(pentafluorosulfanyl)benzene is a versatile compound with a unique combination of functional groups that make it valuable in multiple scientific disciplines. Its synthesis requires careful control of reaction conditions, and its applications span from pharmaceuticals to advanced materials. However, its use must be balanced with considerations for safety and environmental impact. If you have specific questions about its synthesis, reactivity, or applications, feel free to ask!
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