Cas no 99717-08-5 (2-fluoro-5-isopropoxyaniline)
2-fluoro-5-isopropoxyaniline Chemical and Physical Properties
Names and Identifiers
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- 2-fluoro-5-isopropoxyaniline
- CS-0380711
- SCHEMBL12944857
- 99717-08-5
- 2-fluoro-5-(propan-2-yloxy)aniline
- EN300-6499137
-
- MDL: MFCD28048532
- Inchi: 1S/C9H12FNO/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6H,11H2,1-2H3
- InChI Key: CXEPWOIYYRDYGQ-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1N)OC(C)C
Computed Properties
- Exact Mass: 169.090292168Da
- Monoisotopic Mass: 169.090292168Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 140
- 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: 2.2
- Topological Polar Surface Area: 35.3?2
2-fluoro-5-isopropoxyaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D536307-1g |
2-Fluoro-5-isopropoxyaniline |
99717-08-5 | 95% | 1g |
$595 | 2024-08-03 | |
| Enamine | EN300-6499137-0.05g |
2-fluoro-5-(propan-2-yloxy)aniline |
99717-08-5 | 95% | 0.05g |
$218.0 | 2023-05-23 | |
| Enamine | EN300-6499137-0.1g |
2-fluoro-5-(propan-2-yloxy)aniline |
99717-08-5 | 95% | 0.1g |
$326.0 | 2023-05-23 | |
| Enamine | EN300-6499137-0.25g |
2-fluoro-5-(propan-2-yloxy)aniline |
99717-08-5 | 95% | 0.25g |
$466.0 | 2023-05-23 | |
| Enamine | EN300-6499137-0.5g |
2-fluoro-5-(propan-2-yloxy)aniline |
99717-08-5 | 95% | 0.5g |
$735.0 | 2023-05-23 | |
| Enamine | EN300-6499137-1.0g |
2-fluoro-5-(propan-2-yloxy)aniline |
99717-08-5 | 95% | 1g |
$943.0 | 2023-05-23 | |
| Enamine | EN300-6499137-2.5g |
2-fluoro-5-(propan-2-yloxy)aniline |
99717-08-5 | 95% | 2.5g |
$1848.0 | 2023-05-23 | |
| Enamine | EN300-6499137-5.0g |
2-fluoro-5-(propan-2-yloxy)aniline |
99717-08-5 | 95% | 5g |
$2732.0 | 2023-05-23 | |
| Enamine | EN300-6499137-10.0g |
2-fluoro-5-(propan-2-yloxy)aniline |
99717-08-5 | 95% | 10g |
$4052.0 | 2023-05-23 | |
| A2B Chem LLC | BA11964-2.5g |
2-Fluoro-5-isopropoxyaniline |
99717-08-5 | 95% | 2.5g |
$1981.00 | 2024-04-19 |
2-fluoro-5-isopropoxyaniline Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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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
Additional information on 2-fluoro-5-isopropoxyaniline
Comprehensive Overview of 2-Fluoro-5-isopropoxyaniline (CAS No. 99717-08-5): Properties, Applications, and Industry Insights
2-Fluoro-5-isopropoxyaniline (CAS No. 99717-08-5) is a specialized organic compound widely recognized for its unique chemical structure and versatile applications in pharmaceutical and agrochemical research. This aromatic amine, featuring a fluoro substituent and an isopropoxy group, has garnered significant attention due to its role as a key intermediate in synthesizing bioactive molecules. With the growing demand for fluorinated compounds in drug discovery, this chemical has become a focal point for researchers exploring structure-activity relationships (SAR) and molecular optimization.
The compound’s CAS number 99717-08-5 serves as a critical identifier in regulatory and commercial databases, ensuring precise tracking in supply chains. Its systematic name, 2-fluoro-5-isopropoxyaniline, reflects the IUPAC nomenclature standards, while alternative names like 5-isopropoxy-2-fluoroaniline may appear in literature. The inclusion of fluorine enhances metabolic stability and bioavailability, making it a valuable building block for pharmaceutical intermediates. Recent trends highlight its utility in crop protection chemicals, aligning with the global push for sustainable agriculture.
From a synthetic chemistry perspective, 99717-08-5 is often employed in palladium-catalyzed cross-coupling reactions, such as Buchwald-Hartwig aminations, to construct complex heterocycles. Its electron-rich aniline core facilitates functionalization, enabling the development of targeted therapies for oncology and CNS disorders. Industry reports indicate rising searches for "fluoroaniline derivatives" and "high-purity aromatic amines," underscoring its relevance in preclinical research.
Environmental and safety profiles of 2-fluoro-5-isopropoxyaniline adhere to standard handling protocols for aromatic amines. While not classified as hazardous under major regulatory frameworks, proper storage under inert conditions is recommended to prevent degradation. Analytical methods like HPLC and GC-MS are routinely used to verify purity, with >98% being the typical commercial grade. Suppliers often provide custom synthesis services to meet diverse R&D needs, catering to the demand for tailor-made fluorinated intermediates.
Emerging applications include its use in material science, particularly in designing organic semiconductors and liquid crystal displays (LCDs). The compound’s ability to modulate electronic properties via its substituent effects has sparked interest in optoelectronic research. Furthermore, patent analyses reveal its incorporation in dye sensitizers for solar cells, addressing the renewable energy sector’s innovation demands.
Market dynamics for CAS 99717-08-5 reflect broader trends in fine chemicals globalization, with Asia-Pacific emerging as a production hub. Quality benchmarks like ISO certification and GMP compliance are pivotal for suppliers aiming to serve regulated markets. FAQs from researchers often center on scalable synthesis routes and cost-effective purification techniques, highlighting the need for technical documentation.
In conclusion, 2-fluoro-5-isopropoxyaniline exemplifies the intersection of medicinal chemistry and industrial innovation. Its dual utility in life sciences and advanced materials ensures sustained interest, while advancements in green chemistry promise more sustainable production methods. As the scientific community prioritizes fluorine-containing motifs, this compound will remain a cornerstone in cutting-edge research.
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