Cas no 871239-59-7 (2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile)
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-fluoro-a,a-dimethyl-2-Pyridineacetonitrile
- 2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile
- 871239-59-7
- CS-0457548
- SCHEMBL12987949
- EN300-1841456
- AKOS006287182
- 2-(3-Fluoropyridin-2-yl)-2-methylpropionitrile
-
- Inchi: 1S/C9H9FN2/c1-9(2,6-11)8-7(10)4-3-5-12-8/h3-5H,1-2H3
- InChI Key: GIJCPQDLTPQLJP-UHFFFAOYSA-N
- SMILES: FC1=CC=CN=C1C(C#N)(C)C
Computed Properties
- Exact Mass: 164.07497646Da
- Monoisotopic Mass: 164.07497646Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 204
- 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: 1.6
- Topological Polar Surface Area: 36.7?2
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1841456-0.05g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 0.05g |
$587.0 | 2023-09-19 | ||
| Enamine | EN300-1841456-0.1g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 0.1g |
$615.0 | 2023-09-19 | ||
| Enamine | EN300-1841456-0.25g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 0.25g |
$642.0 | 2023-09-19 | ||
| Enamine | EN300-1841456-0.5g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 0.5g |
$671.0 | 2023-09-19 | ||
| Enamine | EN300-1841456-1.0g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 1g |
$986.0 | 2023-06-01 | ||
| Enamine | EN300-1841456-2.5g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 2.5g |
$1370.0 | 2023-09-19 | ||
| Enamine | EN300-1841456-5.0g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 5g |
$2858.0 | 2023-06-01 | ||
| Enamine | EN300-1841456-10.0g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 10g |
$4236.0 | 2023-06-01 | ||
| Enamine | EN300-1841456-1g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 1g |
$699.0 | 2023-09-19 | ||
| Enamine | EN300-1841456-5g |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile |
871239-59-7 | 5g |
$2028.0 | 2023-09-19 |
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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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
Additional information on 2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile
Comprehensive Guide to 2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile (CAS No. 871239-59-7): Properties, Applications, and Market Insights
2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile (CAS No. 871239-59-7) is a specialized fluorinated pyridine derivative with significant potential in pharmaceutical and agrochemical research. This compound, featuring a fluoropyridine core and a nitrile-functionalized side chain, has garnered attention for its unique chemical properties and versatility in synthetic applications. As researchers increasingly explore fluorinated building blocks for drug discovery, understanding this compound's characteristics becomes crucial for modern chemical development.
The molecular structure of 2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile combines the electronic effects of fluorine substitution with the reactivity of a cyano group, making it particularly valuable for constructing complex molecules. Recent trends in medicinal chemistry show growing interest in such fluorinated heterocycles, as they often enhance bioavailability and metabolic stability in potential drug candidates. The compound's CAS 871239-59-7 serves as a critical identifier for researchers sourcing this material globally.
In pharmaceutical applications, 2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile serves as a key intermediate for developing small molecule therapeutics. Its structural features are particularly relevant to current research on kinase inhibitors and CNS-targeting compounds, addressing widespread interest in neurological and oncological treatments. The presence of both fluorine and nitrile groups allows for diverse chemical modifications, enabling medicinal chemists to explore novel structure-activity relationships.
The synthesis and handling of CAS 871239-59-7 require specialized knowledge in fluoroorganic chemistry. Modern laboratories employ advanced techniques like flow chemistry and catalyzed cross-coupling to optimize its production. These methods align with current industry priorities of green chemistry and process intensification, responding to growing environmental concerns in chemical manufacturing.
Analytical characterization of 2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile typically involves NMR spectroscopy (particularly 19F NMR), mass spectrometry, and HPLC purity analysis. These techniques are essential for quality control, especially given the compound's application in high-value pharmaceutical intermediates. Recent advancements in analytical method development have improved detection limits and accuracy for such fluorinated compounds.
The global market for fluoropyridine derivatives like 871239-59-7 reflects broader trends in custom synthesis and contract research. Pharmaceutical companies increasingly outsource complex intermediates, driving demand for reliable suppliers of high-purity specialty chemicals. Market analysts note particular growth in regions with strong generic drug and agrochemical manufacturing capabilities.
Storage and handling recommendations for 2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile emphasize standard practices for nitrile-containing compounds. Proper conditions include protection from moisture and storage at controlled temperatures, following general guidelines for laboratory chemical management. These protocols ensure material stability while addressing common questions about chemical shelf life and degradation products.
Emerging research directions for CAS 871239-59-7 include its potential in metal-organic frameworks (MOFs) and catalysis. The compound's ability to coordinate with metals while providing fluorinated environments makes it interesting for material science applications. Such developments align with current scientific interest in functional materials for energy storage and gas separation technologies.
Intellectual property landscapes surrounding fluoropyridine derivatives continue to evolve, with 871239-59-7 appearing in various patent applications. Recent filings focus on its use in crop protection agents and veterinary medicines, addressing growing global needs in agricultural productivity and animal health. This reflects broader industry responses to climate change and food security challenges.
For researchers considering 2-(3-fluoropyridin-2-yl)-2-methylpropanenitrile in their work, numerous scientific databases provide valuable references. The compound's CAS registry number facilitates precise literature searches across platforms like SciFinder and Reaxys, connecting users to relevant synthetic methodologies and application studies. This accessibility supports the compound's growing role in academic and industrial research programs worldwide.
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