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1-Methyl-3- (1-Methylpiperidin-4-Yl) -1H-Indol-5-Yl 2, what is the chemical structure of 6-Difluorobenzenesulfonate
This is the name of an organic compound, which is detailed as follows:
1. The main body of the compound is indole (1H-indole), which is connected to a methyl group at the 1 position. The introduction of this methyl group affects the spatial structure and electron cloud distribution of the molecule, and plays a role in its physical and chemical properties.
2.3 is connected to 1-methylpiperidine-4-yl, and the piperidine ring is a nitrogen-containing hexamembered heterocycle. The modification of the methyl group at 1 position changes the electron cloud density of the ring, and the 4 position is connected to the indole, which further increases the complexity and special properties of the molecule.
3.5 is a sulfonate structure, specifically 2,6-difluorobenzenesulfonate group. The two fluorine atoms on the benzene ring, because of its strong electronegativity, significantly affect the electron cloud of the benzene ring, and the sulfonate group has good departure properties, which is of great significance in organic synthesis reactions.
4. Overall, this compound may have unique chemical activities and potential application values due to the characteristics and interactions of each substituent group, such as in the field of medicinal chemistry, or because of the synergistic effect of each part to show specific biological activities; in materials science, or because of its structural characteristics exhibit special physical properties.
Its chemical structure can be roughly described as follows: with indole ring as the core, 1-methylpiperidin-4-group at 3-position, and 2,6-difluorobenzenesulfonate at 5-position. Each part is connected according to the chemical valence bond rule, forming a complex and unique organic molecular structure.
What are the main uses of 1-Methyl-3- (1-Methylpiperidin-4-Yl) -1H-Indol-5-Yl 6-Difluorobenzenesulfonate
1-Methyl-3- (1-methylpiperidin-4-yl) -1H-indole-5-yl-2,6-difluorobenzenesulfonate This compound has a wide range of uses. In the field of pharmaceutical research and development, it can be used as a key intermediate to help create new specific drugs. Due to its unique chemical structure or specific biological activity, it can precisely combine with biological targets in the body to exert the effect of treating diseases, such as for some difficult diseases, it is expected to develop innovative therapies.
In the field of organic synthesis, this compound can also be used as an important raw material. With its structural properties, it can participate in many complex organic reactions, providing the possibility for the construction of novel organic molecular structures, and assisting in the synthesis of a series of organic compounds with special properties or functions. It may also make achievements in the field of materials science, such as the development of new functional materials, which can be applied to cutting-edge scientific and technological fields such as electronics and optics.
Furthermore, in pharmaceutical chemistry research, it may provide key clues for the exploration of drug structure-activity relationships. By modifying and modifying its structure, observing the changes in biological activity, and in-depth understanding of the mechanism of drug-target interaction, it can guide the design and development of more efficient and safer drugs.
In conclusion, 1-methyl-3- (1-methylpiperidine-4-yl) -1H-indole-5-yl 2,6-difluorobenzenesulfonate has important potential value in medicine, organic synthesis and related scientific research fields, and it is a chemical substance worthy of further study and exploration.
What is the synthesis method of 1-Methyl-3- (1-Methylpiperidin-4-Yl) -1H-Indol-5-Yl 2,6-Difluorobenzenesulfonate
Eh, to prepare 1-methyl-3- (1-methylpiperidin-4-yl) -1H-indole-5-yl 2,6-difluorobenzenesulfonate, the method is as follows.
First, starting with 1-methyl-1H-indole-3-boronic acid and 1-methyl-4-halogenated piperidine, under the condition of palladium catalysis and alkali assistance, Suzuki coupling reaction was performed to obtain 1-methyl-3- (1-methylpiperidine-4-yl) -1H-indole. In this step, the choice of palladium catalyst is very important, usually tetra (triphenylphosphine) palladium, etc., and the base can be selected from potassium carbonate, sodium carbonate, etc., in suitable solvents such as dioxane, toluene, etc., temperature-controlled reflux, so that the reaction is sufficient.
times, take the obtained 1-methyl-3- (1-methylpiperidin-4-yl) -1H-indole, react with 2,6-difluorobenzenesulfonyl chloride in alkali storage. The base is selected from triethylamine, pyridine and the like, and stirred at low temperature in an inert solvent such as dichloromethane to make the 5-position of indole and benzenesulfonyl chloride nucleophilic substitution to form 1-methyl-3- (1-methylpiperidin-4-yl) -1H-indole-5-yl 2,6-difluorobenzenesulfonate.
After the reaction is completed, the product is purified by conventional separation methods, such as extraction, column chromatography, etc., to obtain pure 1-methyl-3- (1-methylpiperidin-4-yl) -1H-indole-5-yl 2,6-difluorobenzenesulfonate. The reaction requires careful control of the conditions in each step, depending on the reaction process, to obtain satisfactory yield and purity.
What is the safety of 1-Methyl-3- (1-Methylpiperidin-4-Yl) -1H-Indol-5-Yl 2, 6-Difluorobenzenesulfonate
1-Methyl-3- (1-methylpiperidin-4-yl) -1H-indole-5-yl-2,6-difluorobenzenesulfonate is an extremely important issue related to its safety. When considering its safety, consider many aspects.
First, the chemical structure of this compound contains specific groups, 1-methylpiperidin-4-yl and 1H-indole-5-yl and 2,6-difluorobenzenesulfonate moiety. The unique chemical structure often determines its chemical activity and reactivity. For example, some groups may make them highly chemically active, react with other substances in the body and outside the body, or cause unknown effects.
Times and toxicity studies, in order to know its safety, toxicity data is indispensable. Animal experiments are required to observe its acute toxicity. If large doses are administered to animals, immediate adverse reactions, such as abnormal behavior and organ damage, are observed. Chronic toxicity should also be investigated. Long-term low doses are administered to explore whether there is progressive damage, such as effects on specific organ functions, carcinogenicity, teratogenicity, etc. However, the results of animal experiments are extrapolated to humans, which has certain limitations, due to differences in species.
Repeat the environmental impact, and its safety in the environment cannot be ignored. If this substance enters the environment, it needs to be studied for its degradability, and whether it can be decomposed into harmless substances by microorganisms, light, hydrolysis, etc. in the natural environment. If it is difficult to degrade, it may accumulate and affect the ecosystem. And it is necessary to check whether it has toxic effects on aquatic organisms and terrestrial organisms, such as whether it has adverse effects on the growth and reproduction of fish, plants, etc.
At the end of the discussion, the risk of human exposure, daily use or production process, the human body may be exposed to this substance through various routes, such as inhalation, skin contact, and ingestion. It is necessary to estimate the latent risk under different exposure routes. If the production site is poorly ventilated, workers may inhale dust or gas containing this substance; if the product is used in consumer goods, the user's skin or contact.
In summary, the safety of 1-methyl-3- (1-methylpiperidine-4-yl) -1H-indole-5-yl 2,6-difluorobenzenesulfonate requires comprehensive and accurate understanding of chemical structure, toxicity studies, environmental effects and human exposure risks.
1-Methyl-3- (1-Methylpiperidin-4-Yl) -1H-Indol-5-Yl 6-Difluorobenzenesulfonate What is the price range in the market?
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