Cas no 329710-80-7 (N-[2-(trifluoromethoxy)ethyl]aniline)
N-[2-(trifluoromethoxy)ethyl]aniline Chemical and Physical Properties
Names and Identifiers
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- N-[2-(trifluoromethoxy)ethyl]aniline
- SB76786
- 329710-80-7
- A812049
- N-[2-(trifluoromethyloxy)ethyl]aniline
- Phenyl-(2-trifluoromethoxy-ethyl)-amine
- AKOS009158667
- DB-044201
- N-(2-(Trifluoromethoxy)ethyl)aniline
- A881590
-
- Inchi: 1S/C9H10F3NO/c10-9(11,12)14-7-6-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2
- InChI Key: AJDMRDXCYIXSJC-UHFFFAOYSA-N
- SMILES: FC(OCCNC1C=CC=CC=1)(F)F
Computed Properties
- Exact Mass: 205.07144843g/mol
- Monoisotopic Mass: 205.07144843g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 155
- 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: 2.6
- Topological Polar Surface Area: 21.3?2
N-[2-(trifluoromethoxy)ethyl]aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019148310-25g |
N-(2-(Trifluoromethoxy)ethyl)aniline |
329710-80-7 | 95% | 25g |
$429.84 | 2023-09-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1627274-25g |
N-(2-(trifluoromethoxy)ethyl)aniline |
329710-80-7 | 98% | 25g |
¥5890.00 | 2024-05-19 |
N-[2-(trifluoromethoxy)ethyl]aniline Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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 N-[2-(trifluoromethoxy)ethyl]aniline
Comprehensive Overview of N-[2-(trifluoromethoxy)ethyl]aniline (CAS No. 329710-80-7): Properties, Applications, and Industry Trends
N-[2-(trifluoromethoxy)ethyl]aniline (CAS No. 329710-80-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The molecule combines an aniline core with a trifluoromethoxyethyl side chain, offering distinct electronic and steric properties. This combination makes it a valuable intermediate in the synthesis of bioactive molecules, particularly those targeting central nervous system (CNS) disorders and crop protection agents.
Recent studies highlight the growing demand for fluorine-containing compounds like N-[2-(trifluoromethoxy)ethyl]aniline, as fluorine atoms enhance metabolic stability and bioavailability. Researchers are actively exploring its derivatives for applications in drug discovery, especially in GPCR-targeted therapies and enzyme inhibitors. The compound's CAS No. 329710-80-7 is frequently cited in patents related to antidepressants and antifungal agents, aligning with the industry's focus on precision medicine and sustainable agriculture.
From a synthetic chemistry perspective, N-[2-(trifluoromethoxy)ethyl]aniline is synthesized via nucleophilic substitution reactions between 2-(trifluoromethoxy)ethyl halides and aniline derivatives. Its lipophilicity (logP ~2.5) and moderate polarity make it suitable for cross-coupling reactions, a hot topic in green chemistry forums. The compound's thermal stability (decomposition >200°C) also supports its use in high-temperature catalytic processes, a key area in industrial scale-up discussions.
Environmental and regulatory considerations are increasingly shaping the use of CAS No. 329710-80-7. While not classified as hazardous under current REACH guidelines, its biodegradability profile is under evaluation—a critical factor for ESG-conscious manufacturers. Analytical methods like HPLC-MS and NMR are routinely employed for purity verification (>98%), addressing the pharmaceutical industry's emphasis on quality-by-design (QbD) principles.
Market analysts note a 12% CAGR (2023-2030) for trifluoromethoxy-containing intermediates, driven by demand for next-gen pesticides and neurological drugs. The compound's cost-efficiency in multistep syntheses compared to analogous perfluorinated compounds further boosts its adoption. Recent breakthroughs in continuous flow chemistry have also improved its production scalability, reducing organic solvent waste by up to 40%—a win for circular economy initiatives.
In conclusion, N-[2-(trifluoromethoxy)ethyl]aniline (CAS No. 329710-80-7) exemplifies the convergence of medicinal chemistry and process innovation. Its versatility across life sciences and material science applications positions it as a compound to watch in the era of AI-driven molecular design and automated synthesis platforms. Ongoing research into its structure-activity relationships promises to unlock further therapeutic and industrial potential.
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