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What is the chemical structure of (3S, 4R) -3- [ (1,3-benzodioxane-5-yloxy) methyl] -4-phenylpiperidine methanesulfonate (1:1)?
(3S, 4R) - 3- [ (1,3-benzodioxane-5-yloxy) methyl] - 4-phenylpiperidine and its hydrochloride (1:1) are important compounds in the field of organic chemistry. The structure of this compound can be resolved in the following way.
First, the piperidine ring is the core structure, and the three-dimensional configurations of the 3-position and 4-position are S and R, respectively. The 3-position is connected to a specific side chain, namely [ (1,3-benzodioxane-5-yloxy) methyl]. This side chain is composed of a benzodioxane ring connected to methylene by an oxygen atom at the 5-position. The 4-position is connected to a phenyl group. In this way, the main chain structure is clearly presented.
As for its hydrochloride salt (1:1), it is obtained that the compound and hydrochloric acid are salted in a ratio of 1:1. During this salt formation process, the nitrogen atom on the piperidine ring combines with the hydrogen ion in the hydrochloric acid to form the corresponding salt. The formation of this salt often changes the physicochemical properties of the original compound, such as solubility and stability, which is of great significance in drug development and practical applications.
The structural characteristics of this compound make it show potential application value in organic synthesis, pharmaceutical chemistry and other fields. Or because of its specific three-dimensional structure and functional group combination, it can interact with specific targets in organisms to exert specific biological activities, so it is often used as a lead compound or intermediate in drug development, attracting the attention of scientific researchers.
What are the main uses of (3S, 4R) -3- [ (1,3-benzodioxane-5-yloxy) methyl] -4-phenylpiperidine methanesulfonate (1:1)?
(3S, 4R) -3- [ (1,3-benzodioxacyclopentene-5-yloxy) methyl] - 4-phenylmorpholine and its hydrochloride (1:1), has a wide range of uses.
This compound is effective in pharmaceutical research and development. First, it can be used as a potential treatment for diseases of the central nervous system. Because of its special chemical structure, it can bind to specific receptors in the nervous system to regulate the release and transmission of neurotransmitters, and may improve emotional disorders such as depression and anxiety. Second, it also has potential in the field of prevention and treatment of cardiovascular diseases. It may affect the contraction and relaxation of vascular smooth muscle, regulate blood pressure, and have a regulatory effect on cardiovascular diseases such as hypertension. Third, it has also made a name for itself in anti-tumor research. It may interfere with the metabolic process of tumor cells, inhibit their proliferation, and provide a new direction for the development of anti-cancer drugs.
Furthermore, in the field of organic synthetic chemistry, this compound is often an important intermediary. Because its structure is rich in reactive activity check points, chemists can use various organic reactions to modify and derive its structure, thereby creating more organic compounds with novel structures and specific functions, and promoting the progress of organic synthetic chemistry.
What are the pharmacological properties of (3S, 4R) -3- [ (1,3-benzodioxane-5-yloxy) methyl] -4-phenylpiperidine methanesulfonate (1:1)?
(3S, 4R) - 3- [ (1,3-benzodioxane-5-yloxy) methyl] - 4-phenylpiperidine and its hydrochloride (1:1) This drug has unique pharmacological properties. It exhibits significant activity in the nervous system and can precisely act on specific neurotransmitter receptors, which regulates the conduction of neural signals.
In terms of mechanism of action, the molecular structure of this drug is unique, and its (3S, 4R) specific configuration allows it to bind to the corresponding receptor site in a fit way. Just like the fit of mortise and tenon, between every cent, precise docking. 3- [ (1,3-benzodioxane-5-yloxy) methyl] and 4-phenylpiperidine work synergistically. On the one hand, the structure of benzodioxane gives it a certain lipophilicity, which helps the drug to penetrate the biofilm and reach the target smoothly; on the other hand, the structure of phenylpiperidine determines the specificity and affinity of its binding to the receptor.
When it binds to the receptor, it is like a key to open a door lock, triggering a series of biochemical reactions, which in turn affect the release, uptake and metabolism of neurotransmitters. The hydrochloride form of the drug improves the solubility and stability of the drug to a certain extent, like a protective coating for the drug, making it more stable in the internal environment and easier to be absorbed by the body, thus showing unique advantages and potential in the treatment of related neurological diseases.
What are the synthesis methods of (3S, 4R) -3- [ (1,3-benzodioxane-5-yloxy) methyl] -4-phenylpiperidine methanesulfonate (1:1)?
To prepare (3S, 4R) -3- [ (1,3-benzodioxane-5-yloxy) ethyl] -4-phenylpiperidine and its hydrochloride (1:1), there are various methods.
First, the nucleophilic substitution method can be used from suitable starting materials. Choose a compound with a leavable group, meet with a nucleophilic reagent containing (1,3-benzodioxane-5-yloxy) ethyl structure, and with the help of suitable solvents and bases, the nucleophilic substitution occurs smoothly, and the intermediate containing a specific structure is initially obtained. Then, through a series of reactions, such as functional group conversion of the intermediate, the piperidine ring is constructed and the configuration is precisely controlled, and the free base of the target product is finally obtained, and then moderately reacts with hydrochloric acid to form its hydrochloride salt.
Second, or by the strategy of cyclization reaction. Select a linear precursor with appropriate functional groups and can be cyclized under specific conditions. After ingenious design, the precursor is cyclized in the molecule under suitable catalyst, temperature and reaction environment to shape the piperidine ring structure, and (1,3-benzodioxane-5-yloxy) ethyl and phenyl are precisely introduced at the same time. Subsequent steps such as purification and salt formation are also carried out to obtain the target hydrochloride product.
Third, there is also an asymmetric synthesis method. Chiral catalysts or chiral auxiliaries are used to intervene at the beginning of the reaction or key steps to achieve precise control of the product configuration. Under the influence of the chiral environment, the reaction selectively generates products of (3S, 4R) configuration. The starting material is reacted in multiple steps to construct the structure of each part one by one, and finally converted into a free base and then converted into hydrochloride.
All kinds of synthesis methods have their own advantages and disadvantages, and they need to be carefully selected according to the availability of raw materials, cost considerations, difficulty of reaction, and the requirements of yield and purity.
What are the precautions for (3S, 4R) -3- [ (1,3-benzodioxane-5-yloxy) methyl] -4-phenylpiperidine methanesulfonate (1:1)?
(3S, 4R) - 3- [ (1,3-benzodioxane-5-yloxy) ethyl] - 4-phenylpiperidine and its hydrochloride (1:1) are important compounds in organic chemistry. Many precautions need to be paid attention to when synthesizing and using.
The first part of the synthesis process. The selection of raw materials must be strict, and its purity has a great impact on the quality of the product. For example, 1,3-benzodioxane-5-yloxy related raw materials, if they contain impurities or cause more reaction by-products, reduce the yield of the target product. The reaction conditions are also critical, and the temperature, pressure, and catalyst dosage all need to be precisely controlled. If the temperature is too high, the reaction may go out of control, resulting in unnecessary decomposition or polymerization; if the temperature is too low, the reaction rate will be slow and time-consuming. Improper dosage of catalyst will also affect the reaction process and product selectivity.
During operation, safety protection should not be underestimated. Many organic reagents are toxic, corrosive or flammable. For example, some organic solvents are not only flammable, but also volatile vapors or toxic, harming human health. Therefore, the operation should be in a well-ventilated environment, wearing suitable protective equipment, such as gloves, goggles, protective clothing, etc.
Product purification is also important. The crude product often contains impurities and needs to be purified by suitable methods, such as recrystallization, column chromatography, etc. During recrystallization, the choice of solvent is extremely important. The selected solvent must not only be able to dissolve the product and impurities, but also need to have a large difference in the solubility of the product and impurities in order to effectively separate impurities and improve the purity of the product.
For storage, the compound and its hydrochloride salt should be placed in a dry, cool place, protected from light and cool, to prevent it from reacting with oxygen, moisture, etc. in the air and causing deterioration. And should be placed separately from other chemicals to avoid mutual contamination or reaction.
In conclusion, the synthesis, use and storage of (3S, 4R) -3- [ (1,3-benzodioxane-5-yloxy) ethyl] -4-phenylpiperidine and its hydrochloride salts (1:1) require careful treatment at every step, and strict follow of relevant specifications and operating procedures to ensure experimental safety and product quality.