Cas no 1807198-97-5 (4-Bromo-3-methyl-2-(trifluoromethyl)aniline)
4-Bromo-3-methyl-2-(trifluoromethyl)aniline Chemical and Physical Properties
Names and Identifiers
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- 4-Bromo-3-methyl-2-(trifluoromethyl)aniline
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- Inchi: 1S/C8H7BrF3N/c1-4-5(9)2-3-6(13)7(4)8(10,11)12/h2-3H,13H2,1H3
- InChI Key: TYHRKKYMZWJVFY-UHFFFAOYSA-N
- SMILES: BrC1=CC=C(C(C(F)(F)F)=C1C)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 183
- XLogP3: 3.2
- Topological Polar Surface Area: 26
4-Bromo-3-methyl-2-(trifluoromethyl)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013024653-1g |
4-Bromo-3-methyl-2-(trifluoromethyl)aniline |
1807198-97-5 | 97% | 1g |
1,549.60 USD | 2021-06-24 |
4-Bromo-3-methyl-2-(trifluoromethyl)aniline Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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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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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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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 4-Bromo-3-methyl-2-(trifluoromethyl)aniline
4-Bromo-3-methyl-2-(trifluoromethyl)aniline (CAS No. 1807198-97-5): A Versatile Building Block in Modern Chemistry
4-Bromo-3-methyl-2-(trifluoromethyl)aniline (CAS No. 1807198-97-5) is a highly specialized aromatic amine compound that has gained significant attention in pharmaceutical and agrochemical research. This brominated trifluoromethyl aniline derivative serves as a crucial intermediate in the synthesis of various bioactive molecules, particularly in the development of novel drug candidates and crop protection agents.
The unique structural features of 4-Bromo-3-methyl-2-(trifluoromethyl)aniline make it particularly valuable in medicinal chemistry. The presence of both bromo and trifluoromethyl groups on the aromatic ring provides multiple sites for further functionalization, allowing chemists to create diverse molecular architectures. Recent studies in AI-assisted drug discovery have highlighted the importance of such fluorinated building blocks in designing compounds with improved metabolic stability and membrane permeability.
In the field of material science, this compound has shown promise in the development of advanced organic electronic materials. The electron-withdrawing nature of the trifluoromethyl group combined with the reactivity of the bromo substituent makes it an ideal candidate for constructing conjugated systems used in OLEDs and organic semiconductors. Researchers exploring sustainable chemistry solutions are particularly interested in developing more efficient synthetic routes to this valuable intermediate.
The global market for fluorinated aromatic compounds like 4-Bromo-3-methyl-2-(trifluoromethyl)aniline has been growing steadily, driven by increasing demand from the pharmaceutical industry and agrochemical sector. According to recent market analyses, the compound's unique combination of reactivity and structural features positions it as a key player in the development of next-generation small molecule therapeutics and crop protection agents.
From a synthetic chemistry perspective, 4-Bromo-3-methyl-2-(trifluoromethyl)aniline offers several advantages. The bromo group serves as an excellent handle for various cross-coupling reactions, including Suzuki-Miyaura and Buchwald-Hartwig couplings, which are fundamental transformations in modern drug discovery pipelines. Meanwhile, the trifluoromethyl group enhances the compound's utility in designing molecules with improved pharmacokinetic properties.
Recent advances in green chemistry have led to more sustainable production methods for 4-Bromo-3-methyl-2-(trifluoromethyl)aniline. Researchers are focusing on developing catalytic processes that minimize waste and reduce the environmental impact of chemical synthesis. These developments align with the growing industry emphasis on ESG (Environmental, Social, and Governance) principles in chemical manufacturing.
The compound's stability and handling characteristics make it suitable for various scale-up processes in industrial settings. Quality control measures for 4-Bromo-3-methyl-2-(trifluoromethyl)aniline typically involve advanced analytical techniques such as HPLC, GC-MS, and NMR spectroscopy to ensure high purity standards required for pharmaceutical applications.
In the context of intellectual property, 4-Bromo-3-methyl-2-(trifluoromethyl)aniline has been featured in numerous patent applications, particularly in areas related to kinase inhibitors and antimicrobial agents. The compound's versatility continues to make it a valuable asset in the competitive landscape of drug development and specialty chemicals.
Looking forward, the applications of 4-Bromo-3-methyl-2-(trifluoromethyl)aniline are expected to expand further as researchers explore its potential in emerging fields such as proteolysis targeting chimeras (PROTACs) and covalent inhibitors. The compound's unique structural features position it well to address current challenges in targeted therapy development and precision medicine approaches.
For researchers and manufacturers working with 4-Bromo-3-methyl-2-(trifluoromethyl)aniline, proper storage conditions (typically under inert atmosphere at low temperatures) and handling procedures are essential to maintain the compound's stability and reactivity. The growing body of literature on this compound reflects its increasing importance in both academic research and industrial applications.
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