Cas no 1805245-51-5 (3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine)
3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine Chemical and Physical Properties
Names and Identifiers
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- 3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine
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- Inchi: 1S/C8H9BrF2N2/c1-4-6(3-12)5(8(10)11)2-7(9)13-4/h2,8H,3,12H2,1H3
- InChI Key: FFTUPFGLRCCMEL-UHFFFAOYSA-N
- SMILES: BrC1=CC(C(F)F)=C(CN)C(C)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 168
- XLogP3: 1.8
- Topological Polar Surface Area: 38.9
3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029056384-1g |
3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine |
1805245-51-5 | 97% | 1g |
$1,460.20 | 2022-04-01 |
3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
Additional information on 3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine
Comprehensive Overview of 3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine (CAS No. 1805245-51-5)
3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine is a specialized pyridine derivative with significant potential in pharmaceutical and agrochemical research. This compound, identified by its unique CAS No. 1805245-51-5, features a bromo-substituted pyridine core, an aminomethyl functional group, and a difluoromethyl moiety, making it a versatile intermediate for drug discovery and material science applications. Its molecular structure combines reactivity and stability, enabling its use in cross-coupling reactions and as a building block for bioactive molecules.
The difluoromethyl group in this compound is particularly noteworthy, as it mimics the metabolic stability of trifluoromethyl groups while offering distinct electronic properties. Researchers are increasingly exploring fluorinated pyridines due to their enhanced bioavailability and lipophilicity, which are critical for optimizing drug candidates. The presence of the bromo substituent further expands its utility in Suzuki-Miyaura and other palladium-catalyzed reactions, making it a valuable tool for medicinal chemists.
In recent years, the demand for halogenated pyridine derivatives has surged, driven by their role in developing kinase inhibitors and antiviral agents. 3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine aligns with this trend, offering a scaffold for targeting protein-protein interactions and enzyme modulation. Its aminomethyl side chain also provides a handle for further derivatization, enabling the creation of prodrugs or fluorescent probes for biochemical assays.
From an industrial perspective, this compound’s synthesis and scalability are topics of interest. Advanced methods like continuous-flow chemistry and microwave-assisted synthesis are being explored to improve yields and reduce waste. Environmental, Social, and Governance (ESG) considerations are also shaping its production, with greener solvents and catalytic systems gaining traction. These innovations address the growing emphasis on sustainable chemistry in the pharmaceutical sector.
Analytical characterization of CAS No. 1805245-51-5 involves techniques such as NMR spectroscopy, HPLC, and mass spectrometry to ensure purity and structural integrity. Regulatory compliance, including REACH and FDA guidelines, further underscores its suitability for preclinical studies. As the scientific community prioritizes fragment-based drug design, this compound’s modularity positions it as a key player in hit-to-lead optimization pipelines.
In summary, 3-(Aminomethyl)-6-bromo-4-(difluoromethyl)-2-methylpyridine exemplifies the convergence of synthetic accessibility and functional diversity. Its applications span from small-molecule therapeutics to agrochemical innovation, reflecting broader trends in precision chemistry and interdisciplinary research. Future directions may include exploring its role in PROTACs (Proteolysis-Targeting Chimeras) or as a ligand for metal-organic frameworks (MOFs), highlighting its adaptability to cutting-edge scientific challenges.
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