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What is the chemical structure of 4-methoxy-2- (((5-methoxy-1H-benzimidazole-2-yl) sulphinyl) methyl) -3,5-dimethylpyridine 1-oxide?
This is the chemical name of pantoprazole sodium, and its chemical structure is as follows:
The main body of the compound is a pyridine ring, each of the 3rd and 5th positions of the pyridine ring has a methyl group, and the 1st position of the pyridine ring is oxidized to N-oxide; the 4th position of the pyridine ring is connected with a methoxy group, and the 2nd position is connected to a side chain containing thioether oxidized to a sulfoxide structure. In this side chain, the sulfur atom of the sulfoxide is connected to a methylene group, which is in turn connected to a 5-methoxy-1H-benzimidazole-2-group. In the 5-methoxy-1H-benzimidazole structure, the benzene ring is fused to the imidazole ring, the benzene ring has methoxy substitution at the 5 position, the imidazole ring is a hydrogen atom at the 1 position, and the 2 position is connected to the side chain of the pyridine ring through methylene.
As a proton pump inhibitor, pantoprazole sodium can specifically act on gastric parietal cells, inhibit gastric acid secretion, and is often used in the treatment of gastric acid-related diseases such as gastric ulcer, duodenal ulcer, and reflux esophagitis. Its unique chemical structure endows it with good pharmacological activity and stability.
What are the main uses of 4-methoxy-2- (((5-methoxy-1H-benzimidazole-2-yl) sulphinyl) methyl) -3,5-dimethylpyridine 1-oxide?
4-Methoxy-2- ((5-methoxy-1H-benzimidazole-2-yl) sulfinyl) methyl) -3,5-dimethylpyridine 1-oxide is an organic compound. Its main uses are quite extensive, in the field of medicine, and it is mostly used as a key intermediate of proton pump inhibitors.
Proton pump inhibitors can effectively inhibit gastric acid secretion and have significant efficacy in the treatment of gastric ulcer, duodenal ulcer, reflux esophagitis and other digestive system diseases. This compound can be converted into pharmaceutical ingredients with inhibitory activity of gastric acid secretion through specific chemical reaction steps.
For example, in the drug synthesis process, it combines with other chemicals through a series of reactions to eventually generate drugs for clinical treatment. Its unique chemical structure gives it a specific role in the mechanism of gastric acid secretion inhibition. By inhibiting the proton pump, it can precisely regulate the amount of gastric acid secretion, thus assisting the treatment and rehabilitation of patients with digestive system diseases. In addition, in the field of drug development, it also provides an important starting material and research foundation for scientists to explore new gastric acid inhibitory drugs, promoting the continuous innovation and optimization of related drugs.
What are the synthesis methods of 4-methoxy-2- (((5-methoxy-1H-benzimidazole-2-yl) sulphinyl) methyl) -3,5-dimethylpyridine 1-oxide?
To prepare 4-methoxy-2 - (((5-methoxy-1H-benzimidazole-2-yl) sulfinyl) methyl) -3,5-dimethylpyridine 1-oxide, there are various methods for its synthesis.
First, it can be obtained from readily available starting materials through multi-step reactions. First, take a suitable pyridine derivative, and under specific conditions, introduce methoxy and methyl groups into the pyridine ring to form a 3,5-dimethyl-4-methoxy pyridine structure. This step requires fine regulation of the reaction temperature, time, and the proportion of reagents used. The reagents used, such as the corresponding halogenated alkanes and bases, are reacted in a suitable solvent.
Then, the structure containing benzimidazole-2-sulfonyl methyl is introduced into the pyridine derivative. 5-methoxy-1H-benzimidazole-2-yl related thiols or thioether derivatives can be prepared first, and then oxidized to convert them into sulfoxide structures, and then connected to the pyridine derivative through reactions such as nucleophilic substitution. In this oxidation step, suitable oxidizing agents, such as m-chloroperoxybenzoic acid, can be selected, and attention should be paid to the selectivity and yield of the reaction.
Second, different synthesis routes can also be designed. The benzimidazole derivative is used as the starting material, and it is modified first, so that the methoxy group is introduced at the 5-position on the benzimidazole ring, and a suitable leaving group or active check point is constructed at the 2-position. At the same time, the pyridine derivative is treated to have an active structure that can react with the benzimidazole derivative. After that, the two react to form a key intermediate. Finally, the intermediate is oxidized to epoxylate the pyridine into the pyridine 1-oxide structure. This oxidation step also requires the selection of suitable oxidizing agents and conditions, such as hydrogen peroxide combined with a specific catalyst, to achieve the synthesis of the final product. The process of
synthesis requires detailed observation of each step of the reaction, consideration of the effect of reaction conditions on the purity and yield of the product, and careful optimization to obtain the target product 4-methoxy-2 - ((5-methoxy-1H-benzimidazole-2-yl) sulfinyl) methyl) -3,5-dimethylpyridine 1-oxide.
What are the physical and chemical properties of 4-methoxy-2- (((5-methoxy-1H-benzimidazole-2-yl) sulphinyl) methyl) -3,5-dimethylpyridine 1-oxide?
4-Methoxy-2- (((5-methoxy-1H-benzimidazole-2-yl) sulfinyl) methyl) -3,5-dimethylpyridine 1-oxide, this is an organic compound. It has many physical and chemical properties.
Looking at its properties, it may be a solid under normal conditions, but the specific form is also affected by the surrounding environment, such as temperature and humidity.
When it comes to melting point, the melting point of a compound is a key physical property. At a specific temperature, it melts from a solid state to a liquid state, and this temperature may change due to the purity and crystalline form of the compound.
In terms of solubility, its solubility varies in different solvents. Organic solvents, such as ethanol, acetone, etc., may have certain solubility; in water, or because their molecular structure contains hydrophobic groups, the solubility is poor.
In terms of stability, its chemical structure contains benzimidazole, pyridine and other groups, and such structures may show certain stability under specific conditions. In case of strong acids, strong bases or extreme conditions such as high temperature and light, or cause chemical reactions and cause structural changes.
Spectral properties cannot be ignored. In the infrared spectrum, each chemical bond presents a unique absorption peak due to different vibration frequencies, which helps to identify functional groups in the structure. In nuclear magnetic resonance spectroscopy, hydrogen and carbon atoms in different chemical environments are presented with specific chemical shifts, providing important clues for analyzing the molecular structure.
The physical and chemical properties of this compound are deeply affected by its molecular structure, and the properties are interrelated, which together outline its chemical "face".
What are the precautions for the use of 4-methoxy-2- (((5-methoxy-1H-benzimidazole-2-yl) sulphinyl) methyl) -3,5-dimethylpyridine 1-oxide?
4-Methoxy-2- ((5-methoxy-1H-benzimidazole-2-yl) sulfinyl) methyl) -3,5-dimethylpyridine-1-oxide is a rather complex organic compound. During use, many things should be paid attention to.
First, safety is the first. This compound may have specific chemical activities and potential hazards, and safety procedures must be strictly followed when exposed. Wear appropriate protective equipment during operation, such as laboratory clothes, gloves and goggles, to prevent it from coming into contact with the skin and eyes. In case of accidental contact, immediately rinse with a large amount of water and seek medical assistance according to the specific situation.
Second, accurately weigh and take. Due to its complex structure, nature or sensitive to dosage, it is necessary to use a precise weighing tool when taking it to ensure that the dosage is correct, so as not to affect the expected effect of experiment or production.
Third, pay attention to storage conditions. It should be properly stored according to its chemical characteristics. Generally speaking, it should be stored in a dry, cool and well-ventilated place, away from fire sources and oxidants, etc., to prevent chemical reactions from causing deterioration or causing danger.
Fourth, know the reaction characteristics. When participating in a chemical reaction, it is necessary to fully understand its reaction mechanism and conditions, and strictly control factors such as reaction temperature, time, and proportion of reactants to ensure that the reaction proceeds in the expected direction and avoid side reactions.
Fifth, make records. All details in the use process, such as dosage, reaction phenomenon, time, etc., should be recorded in detail for subsequent analysis and traceability. If there is a problem, the cause can also be identified.
In short, when using this compound, be careful and meticulous, and strictly follow the procedures to ensure the safety and effectiveness of the operation.