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What is the chemical structure of 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) pyridin-2-yl] methyl] sulphanyl] -1H-benzimidazole?
2-%5B%5B%5B3-methyl-4-%282%2C2%2C2-trifluoroethoxy%29pyridin-2-yl%5Dmethyl%5Dsulphanyl%5D-1H-benzimidazole, this is the name of an organic compound. According to the organic chemical nomenclature, its chemical structure characteristics can be inferred as follows:
The core structure of this compound is 1H-benzimidazole (benzimidazole), which is a nitrogen-containing heterocyclic structure. It is formed by fusing a benzene ring with an imidazole ring. At the 2-position of benzimidazole, a complex substituent is attached.
The starting part of the substituent is %5B%5B%5B3-methyl-4-%282%2C2%2C2-trifluoroethoxy%29pyridin-2-yl%5Dmethyl%5Dsulphanyl, which contains a pyridine ring structure. The 3-position of the pyridine ring is substituted with methyl, the 4-position is connected with 2,2,2-trifluoroethoxy (2,2,2-trifluoroethoxy), and the 2-position of the pyridine ring is connected with a methyl (methyl), which is in turn connected to a sulfur atom, which is then connected to the 2-position of benzimidazole.
In this way, the structure of this compound is composed of a benzimidazole core, and through a specific connection method, it is connected to a pyridine ring derived with a specific substituent, presenting a unique chemical structure. Its structure is complex, and its parts are connected to each other, giving the compound specific chemical properties and potential applications.
What are the physical properties of 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) pyridin-2-yl] methyl] sulphanyl] -1H-benzimidazole?
This is called 2- [[3-methyl-4- (2,2,2-trifluoroethoxy) pyridine-2-yl] methyl] thio] -1H-benzimidazole. Its physical properties are as follows:
Looking at its morphology, it is mostly in a solid state under normal circumstances. Due to the specific group in the molecular structure, it has a certain melting point, but the specific value varies according to the synthesis and purification conditions.
When it comes to solubility, because the compound contains both aromatic ring structures such as benzimidazole, as well as pyridyl groups, trifluoroethoxy groups, etc., it is an organic compound. In common organic solvents, such as dichloromethane, chloroform, N, N-dimethylformamide (DMF), it shows a certain solubility. This is because organic solvents and compounds can interact with van der Waals forces, hydrogen bonds, etc. However, in water, due to the large proportion of hydrophobic groups, the solubility is poor.
In terms of stability, under normal environmental conditions, if there is no strong acid, strong base or strong oxidizing agent or reducing agent, its structure is relatively stable. However, due to the presence of sulfur-containing groups in the molecule, in a strong oxidizing environment, sulfur atoms may be oxidized, resulting in structural changes. And because it contains pyridine rings and benzimidazole rings, it has a certain tolerance to light and heat, but long-term strong light exposure or high temperature environment may also cause molecular structure changes, such as photochemical reactions and thermal decomposition reactions.
Its density is also related to its own structure. Due to the fluorine atom, the relative mass of the fluorine atom is large and the atomic radius is small, which will make the density of the compound slightly higher than that of the same type of fluorine-free compound. However, the exact density value needs to be accurately determined by experiment.
What are the main uses of 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) pyridin-2-yl] methyl] sulphanyl] -1H-benzimidazole?
2-% 5B% 5B% 5B3-methyl-4- (2,2,2-trifluoroethoxy) pyridine-2-yl% 5D-methyl% 5Dsulphanyl% 5D-1H-benzimidazole, the main use of this compound involves the field of medical chemistry.
In the process of pharmaceutical research and development, it may have unique biological activities and can interact with specific biological targets. Or it can be combined with biological macromolecules such as receptors and enzymes to regulate physiological and pathological processes, such as participating in the regulation of cell signal transduction pathways. Taking cancer treatment as an example, it may be able to target abnormal signaling pathways of cancer cells, block key links, inhibit cancer cell proliferation and metastasis, and show anti-cancer potential; in the treatment of nervous system diseases, it may regulate neurotransmitter metabolism and nerve cell excitability, and bring new opportunities for Alzheimer's disease, Parkinson's disease and other diseases.
In chemical research, its structure is unique, containing trifluoroethoxy, benzimidazole and other groups, providing a new direction for organic synthesis. It can be used as a key intermediate, through various chemical reactions, derived compounds with diverse structures and specific functions, enrich the library of organic compounds, and lay the foundation for the development of new drugs and materials science.
This compound has great potential in the field of medicinal chemistry, and with further research, it is expected to make significant contributions to human health and scientific progress.
What are the synthesis methods of 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) pyridin-2-yl] methyl] sulphanyl] -1H-benzimidazole?
To prepare 2 - [[3-methyl-4 - (2,2,2-trifluoroethoxy) pyridine-2-yl] methyl] thio] -1H-benzimidazole, there are various ways to synthesize it.
First, a compound containing the corresponding pyridine structure can be reacted with a sulfur-containing reagent under suitable conditions to form this sulfur-containing bond structure. If 3-methyl-4- (2,2,2-trifluoroethoxy) pyridine-2-formaldehyde is used as the starting material, it is first condensed with thiol derivatives, and then cyclized with o-phenylenediamine compounds through reduction steps to obtain sulfur-containing intermediates. During this process, the condensation reaction must choose mild and efficient conditions to ensure the smooth progress of the reaction and reduce side reactions. In the reduction step, a suitable reducing agent needs to be selected to ensure the reduction effect and product purity.
Second, 3-methyl-4- (2,2,2-trifluoroethoxy) pyridine-2-halides can also be used to react with sulfur-containing nucleophiles to form thioether intermediates, which are then cyclized with o-phenylenediamine in acid or base catalysis. The choice of halides depends on the reactivity, and brominated or chlorinated compounds are commonly used. The properties of nucleophiles have a significant impact on the reaction rate and selectivity. In the catalytic cyclization step, the type and dosage of acid and base need to be carefully adjusted to achieve high yield and purity.
Furthermore, the benzimidazole parent core can be constructed first, and then the side chain containing pyridine can be introduced. For example, 2-mercapto-1H-benzimidazole is synthesized first, and then reacted with halogenated alkanes or sulfonates containing 3-methyl-4- (2,2,2-trifluoroethoxy) pyridine-2-yl, and then reacted with nucleophilic substitution to obtain the target compound. This route requires attention to the protection and de-protection strategies of thiol groups to avoid unnecessary side reactions of thiol groups during the reaction process. The activity and selectivity of halogenated alkanes or sulfonates are also key considerations to ensure the smooth and efficient reaction.
What is the price range for 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) pyridin-2-yl] methyl] sulphanyl] -1H-benzimidazole in the market?
I look at what you said about "2 - [[[3 - methyl - 4 - (2,2,2 - trifluoroethoxy) pyridin - 2 - yl] methyl] sulphanyl] - 1H - benzimidazole", which is a complex chemical substance. However, it is difficult to suddenly understand the price range on the market.
The price of these chemicals is often affected by many factors. First, the difficulty of its preparation is also. If the preparation requires cumbersome steps and rare raw materials, the price will be high; if the preparation is easier and the raw materials are common, the price may be slightly lower. Second, the amount of market demand is also the key. If there is a strong demand for this product in a certain industry, the supply will exceed the demand, and the price will rise; if there is little demand, the price will not be high. Third, the price set by different manufacturers is also different due to differences in technology and cost.
Furthermore, I have not found the exact record of the price range of this product in the market in the ancient books. You may need to go to the chemical raw material market, the relevant chemical product trading platform for detailed investigation, or consult the merchants specializing in such chemicals to obtain a more accurate price range. Although it is difficult for me to say the price range directly, I hope this analysis can help you to explore its price.