Cas no 2137870-99-4 (2-tert-butyl-5-fluoro-1H-pyrrolo2,3-bpyridine)
2-tert-butyl-5-fluoro-1H-pyrrolo2,3-bpyridine Chemical and Physical Properties
Names and Identifiers
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- 2-tert-butyl-5-fluoro-1H-pyrrolo2,3-bpyridine
- EN300-1119638
- 2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine
- 2137870-99-4
-
- Inchi: 1S/C11H13FN2/c1-11(2,3)9-5-7-4-8(12)6-13-10(7)14-9/h4-6H,1-3H3,(H,13,14)
- InChI Key: VQJLFUBZTXNNOM-UHFFFAOYSA-N
- SMILES: FC1=CN=C2C(=C1)C=C(C(C)(C)C)N2
Computed Properties
- Exact Mass: 192.10627659g/mol
- Monoisotopic Mass: 192.10627659g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 3.1
- Topological Polar Surface Area: 28.7?2
2-tert-butyl-5-fluoro-1H-pyrrolo2,3-bpyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1119638-0.05g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 95% | 0.05g |
$612.0 | 2023-10-27 | |
| Enamine | EN300-1119638-0.1g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 95% | 0.1g |
$640.0 | 2023-10-27 | |
| Enamine | EN300-1119638-0.25g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 95% | 0.25g |
$670.0 | 2023-10-27 | |
| Enamine | EN300-1119638-0.5g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 95% | 0.5g |
$699.0 | 2023-10-27 | |
| Enamine | EN300-1119638-1.0g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 1g |
$1801.0 | 2023-06-09 | ||
| Enamine | EN300-1119638-2.5g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 95% | 2.5g |
$1428.0 | 2023-10-27 | |
| Enamine | EN300-1119638-5.0g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 5g |
$5221.0 | 2023-06-09 | ||
| Enamine | EN300-1119638-10.0g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 10g |
$7742.0 | 2023-06-09 | ||
| Enamine | EN300-1119638-1g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 95% | 1g |
$728.0 | 2023-10-27 | |
| Enamine | EN300-1119638-5g |
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine |
2137870-99-4 | 95% | 5g |
$2110.0 | 2023-10-27 |
2-tert-butyl-5-fluoro-1H-pyrrolo2,3-bpyridine Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
Additional information on 2-tert-butyl-5-fluoro-1H-pyrrolo2,3-bpyridine
Exploring 2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine (CAS No. 2137870-99-4): Properties, Applications, and Future Directions
2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine (CAS No. 2137870-99-4) is a specialized heterocyclic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound, often referred to by its systematic name, features a unique molecular structure combining a pyrrolopyridine core with tert-butyl and fluorine substituents. Its CAS number, 2137870-99-4, serves as a key identifier in chemical databases, facilitating research and development efforts. The growing interest in such molecules is driven by their potential in designing novel therapeutic agents and advanced materials, aligning with current trends in sustainable innovation and precision medicine. Researchers and industry professionals frequently search for terms like "2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine synthesis" and "applications of fluorinated pyrrolopyridines," highlighting its relevance in cutting-edge scientific inquiries.
The molecular structure of 2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine is characterized by a fused bicyclic system, where a pyrrole ring is annulated to a pyridine ring. The incorporation of a fluoro group at the 5-position enhances the compound's electronic properties, making it a valuable building block in organic synthesis. The tert-butyl group at the 2-position contributes to steric bulk, which can influence reactivity and stability. This structural motif is reminiscent of privileged scaffolds in drug discovery, such as those found in kinase inhibitors and other bioactive molecules. Common search queries like "heterocyclic compounds with fluorine" and "pyrrolopyridine derivatives in medicine" reflect the broader curiosity about how such modifications impact biological activity. The compound's physicochemical properties, including solubility, lipophilicity, and metabolic stability, are critical parameters evaluated during pre-clinical studies, often discussed in contexts like AI-driven drug design and green chemistry initiatives.
In terms of synthesis, 2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine is typically prepared through multi-step organic reactions involving halogenation, cyclization, and functional group transformations. Modern synthetic approaches emphasize efficiency and sustainability, utilizing catalysts and reagents that minimize environmental impact. This aligns with the increasing focus on "green synthesis methods" and "sustainable chemical production," topics frequently searched by academics and industry stakeholders. The compound's role as an intermediate in the synthesis of more complex molecules makes it a subject of interest in patent literature and research publications. For instance, it may serve as a precursor in the development of compounds with potential applications in treating various health conditions, though always within regulatory frameworks that prioritize safety and efficacy.
The applications of 2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine span multiple domains, with a strong emphasis on pharmaceutical research. Its structural features make it a candidate for modulating biological targets, such as enzymes and receptors involved in cellular signaling pathways. This has led to investigations into its use in developing new therapies, particularly in areas like oncology and neurology, where there is a high demand for innovative treatments. Searches for "fluoro-pyrrolopyridine in drug discovery" and "medicinal chemistry of nitrogen heterocycles" are common, underscoring the compound's potential in addressing unmet medical needs. Additionally, its electronic properties suggest utility in materials science, such as in the design of organic semiconductors or fluorescent probes, topics gaining traction due to advancements in renewable energy and diagnostic technologies.
Market dynamics and future prospects for 2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine are influenced by trends in personalized medicine and the integration of artificial intelligence in research. AI tools are increasingly used to predict compound behavior and optimize synthesis routes, making queries like "AI in chemical synthesis" highly relevant. The compound's niche yet growing presence in scientific literature indicates its potential for commercialization, especially as industries seek novel compounds with unique properties. Collaborations between academic institutions and pharmaceutical companies often focus on such molecules to drive innovation while adhering to ethical and environmental standards. This holistic approach ensures that developments are not only scientifically sound but also socially responsible, catering to a global audience concerned with sustainability and health advancements.
In conclusion, 2-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine (CAS No. 2137870-99-4) represents a fascinating example of how tailored molecular design can open doors to diverse applications. From its role in advancing medicinal chemistry to its potential in materials science, this compound exemplifies the intersection of innovation and practicality. As research continues, it is likely to remain a topic of interest, fueled by searches for "future of fluorinated heterocycles" and "emerging chemical intermediates." By staying informed on such compounds, professionals can contribute to a brighter, more sustainable future in science and technology.
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