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| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 686964-250MG |
2-(trifluoromethyl)pyridine-3-carbonitrile |
870066-15-2 | 97% | 250MG |
￥429.42 | 2022-02-24 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 686964-1G |
2-(trifluoromethyl)pyridine-3-carbonitrile |
870066-15-2 | 97% | 1G |
￥3707.29 | 2022-02-24 | |
| Chemenu | CM178781-5g |
2-(Trifluoromethyl)nicotinonitrile |
870066-15-2 | 95% | 5g |
$1015 | 2021-08-05 | |
| Apollo Scientific | PC9261-250mg |
2-(Trifluoromethyl)nicotinonitrile |
870066-15-2 | 250mg |
￡45.00 | 2025-02-22 | ||
| Apollo Scientific | PC9261-1g |
2-(Trifluoromethyl)nicotinonitrile |
870066-15-2 | 1g |
￡140.00 | 2025-02-22 | ||
| eNovation Chemicals LLC | D698031-1g |
2-(Trifluoromethyl)nicotinonitrile |
870066-15-2 | 97% | 1g |
$155 | 2024-07-20 | |
| Fluorochem | 068368-250mg |
2-(Trifluoromethyl)nicotinonitrile |
870066-15-2 | 97% | 250mg |
￡134.00 | 2022-03-01 | |
| Fluorochem | 068368-1g |
2-(Trifluoromethyl)nicotinonitrile |
870066-15-2 | 97% | 1g |
￡313.00 | 2022-03-01 | |
| Chemenu | CM178781-5g |
2-(Trifluoromethyl)nicotinonitrile |
870066-15-2 | 95% | 5g |
$1015 | 2022-03-01 | |
| abcr | AB233171-1 g |
2-(Trifluoromethyl)nicotinonitrile; . |
870066-15-2 | 1g |
€312.50 | 2023-04-27 |
2-(Trifluoromethyl)pyridine-3-carbonitrile (CAS No. 870066-15-2) is a versatile compound with a unique combination of functionalities that make it an important building block in the fields of organic synthesis, medicinal chemistry, and materials science. This compound features a pyridine ring substituted with a trifluoromethyl group and a cyano group, which endow it with distinct chemical and physical properties. In this article, we will delve into the structure, synthesis, applications, and recent research advancements of 2-(trifluoromethyl)pyridine-3-carbonitrile.
Structure and Physical Properties
The molecular formula of 2-(trifluoromethyl)pyridine-3-carbonitrile is C8H4F3N2, and its molecular weight is 181.13 g/mol. The compound is a white to off-white solid at room temperature and is highly soluble in polar solvents such as dimethyl sulfoxide (DMSO), dimethylformamide (DMF), and acetonitrile. The presence of the trifluoromethyl group imparts significant electron-withdrawing properties to the molecule, which can influence its reactivity and stability. Additionally, the cyano group enhances the compound's ability to participate in various chemical reactions, making it a valuable intermediate in synthetic pathways.
Synthesis
The synthesis of 2-(trifluoromethyl)pyridine-3-carbonitrile has been extensively studied, and several methods have been reported in the literature. One common approach involves the reaction of 2-trifluoromethylpyridine with cyanogen bromide or another suitable nitrile source under appropriate conditions. Another method involves the condensation of 2-trifluoromethylpyridine with formamide followed by dehydration to form the nitrile. These synthetic routes are well-documented and can be adapted to produce high-purity 2-(trifluoromethyl)pyridine-3-carbonitrile on both laboratory and industrial scales.
Applications in Organic Synthesis
2-(Trifluoromethyl)pyridine-3-carbonitrile is widely used as a building block in organic synthesis due to its unique functional groups. The trifluoromethyl group provides strong electron-withdrawing effects, which can be exploited in various reactions such as nucleophilic substitutions, electrophilic additions, and transition-metal-catalyzed cross-coupling reactions. The cyano group can be readily converted into other functional groups through hydrolysis, reduction, or other transformations, making it a versatile starting material for the synthesis of complex molecules.
Mechanistic Studies and Reactivity
The reactivity of 2-(trifluoromethyl)pyridine-3-carbonitrile has been extensively studied using various spectroscopic techniques such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and computational methods. These studies have provided valuable insights into the electronic structure and reactivity patterns of the molecule. For example, density functional theory (DFT) calculations have shown that the trifluoromethyl group significantly lowers the LUMO energy level of the molecule, making it more susceptible to nucleophilic attack at the cyano carbon atom.
Applications in Medicinal Chemistry
In medicinal chemistry, 2-(trifluoromethyl)pyridine-3-carbonitrile has found applications as a key intermediate in the synthesis of bioactive compounds. The trifluoromethyl group is known to enhance metabolic stability and improve pharmacokinetic properties of drug candidates. Additionally, the pyridine ring can participate in hydrogen bonding interactions with biological targets, enhancing binding affinity and selectivity. Recent studies have explored the use of 2-(trifluoromethyl)pyridine-3-carbonitrile-derived compounds as potential inhibitors of various enzymes involved in disease pathways.
Molecular Biology Applications
Beyond its use as a synthetic intermediate, 2-(trifluoromethyl)pyridine-3-carbonitrile-based compounds have also shown promise in molecular biology applications. For instance, they have been used as fluorescent probes for imaging cellular processes due to their ability to undergo photochemical transformations that result in changes in fluorescence properties. These probes can provide valuable insights into cellular dynamics and help researchers understand complex biological mechanisms.
Molecular Modeling and Computational Studies Molecular modeling studies have provided valuable insights into the behavior of2-(trifluoromethyl)pyridine-3-carbonitrile (CAS No. CAS No. strong >8777777777777777777-strong>). Molecular dynamics simulations have elucidated its conformational flexibility and interactions with solvent molecules. Quantum mechanical calculations have shed light on its electronic structure and reactivity patterns. These computational tools are essential for optimizing synthetic routes and predicting the behavior of strong >< i >< strong >< i >< strong >< i >< strong >< i >< strong >< i >< strong >< i >< strong >< i >< strong >< i >< strong >< i >< strong >& nbsp;< /i > strong > p >
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Molecular modeling studies have provided valuable insights into the behavior of2-(trifluoromethyl)pyridine-3-carbonitrile (CAS No. strong>. Molecular dynamics simulations have elucidated its conformational flexibility and interactions with solvent molecules. Quantum mechanical calculations have shed light on its electronic structure and reactivity patterns. These computational tools are essential for optimizing synthetic routes and predicting the behavior of strong >& nbsp;< / p >
Molecular modeling studies have provided valuable insights into the behavior of2-(trifluoromethyl)pyridine-3-carbonitrile (CAS No. strong>. Molecular dynamics simulations have elucidated its conformational flexibility and interactions with solvent molecules. Quantum mechanical calculations have shed light on its electronic structure and reactivity patterns. These computational tools are essential for optimizing synthetic routes and predicting the behavior of strong >& nbsp;< / p >
Molecular modeling studies have provided valuable insights into the behavior of2-(trifluoromethyl)pyridine-3-carbonitrile (CAS No. strong>. Molecular dynamics simulations have elucidated its conformational flexibility and interactions with solvent molecules. Quantum mechanical calculations have shed light on its electronic structure and reactivity patterns. These computational tools are essential for optimizing synthetic routes and predicting the behavior of strong >& nbsp;< / p >
Molecular modeling studies have provided valuable insights into the behavior of2-(trifluoromethyl)pyridine-3-carbonitrile (CAS No. strong>. Molecular dynamics simulations have elucidated its conformational flexibility and interactions with solvent molecules. Quantum mechanical calculations have shed light on its electronic structure and reactivity patterns. These computational tools are essential for optimizing synthetic routes and predicting the behavior of strong >& nbsp;< / p >
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Computational studies have played a crucial role in understanding the behavior of 2-(trifluoromethyl)pyridine-3-carbonitrile (CAS No. 870066-15-2)) at the molecular level. Molecular dynamics simulations have provided insights into its conformational flexibility and interactions with solvent molecules. Quantum mechanical calculations have elucidated its electronic structure and reactivity patterns. These computational tools are essential for optimizing synthetic routes and predicting the behavior of 2-(trifluoromethyl)pyridine-3-carbonitrile bin various chemical reactions.????????????
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