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What is the chemical structure of 1H - Benzimidazole, 5 - methoxy - 1 - methyl - (9CI)?
The chemical structure of 5-methoxy-1-methyl-1H-benzimidazole (9CI) is as follows:
This compound belongs to the benzimidazole class. The basic structure of benzimidazole is formed by fusing a benzene ring with an imidazole ring. The so-called benzene ring is a six-membered aromatic ring structure. The carbon atoms on the ring are alternately arranged in single and double bonds, with high stability and unique electron cloud distribution, showing special activity in many reactions of organic chemistry. The imidazole ring is a five-membered nitrogen-containing heterocycle composed of two nitrogen atoms and three carbon atoms, which is also aromatic.
In this compound, "5-methoxy" means that at position 5 of the benzimidazole structure, there is a methoxy group (-OCH 🥰) attached. Methoxy is the donator group, and its presence can affect the electron cloud density distribution of the molecule, thereby changing the physical and chemical properties of the compound, such as its acidity and basicity, reactivity, and intermolecular forces.
"1-methyl" indicates that there is a methyl group (-CH 🥰) attached at position 1. The introduction of methyl group, on the one hand, changes the spatial structure of molecules and affects the accumulation and interaction between molecules; on the other hand, methyl group is also a power supply group, which will affect the electron cloud of benzimidazole ring, thereby affecting the reactivity and stability of the whole molecule.
In summary, the chemical structure of 5-methoxy-1-methyl-1H-benzimidazole is based on the basic skeleton of benzimidazole, and methoxy and methyl groups are introduced at specific positions. This unique structure endows the compound with specific physical and chemical properties and potential biological activities.
What are the physical properties of 1H - Benzimidazole, 5 - methoxy - 1 - methyl - (9CI)?
5-Methoxy-1-methyl-1H-benzimidazole (9CI), this is an organic compound. Its physical properties are as follows:
Viewed at room temperature and pressure, it is mostly white to light yellow crystalline powder, which is easy to identify by visual method.
Smell, usually no significant odor, this characteristic can avoid inconvenience and latent risk caused by odor in practical operation and application.
When it comes to the melting point, the melting point is about 130-135 ° C. At this temperature, the substance gradually changes from solid to liquid. This melting point characteristic is of great significance in the purification and identification of compounds; although the boiling point is difficult to give accurately due to the lack of relevant data, it is conceivable that under suitable heating conditions, it will convert from liquid to gaseous.
In terms of solubility, it is slightly soluble in water, because its molecular structure contains limited polar groups, and the interaction with water molecules is weak; but it is soluble in common organic solvents, such as ethanol, dichloromethane, etc. This solubility is conducive to the separation and purification of reactants or products in organic synthesis reactions. The density of
is also an important physical property. Although the exact value is not clear due to the difficulty of finding data, it can be roughly inferred from similar compounds that its density may be slightly higher than that of water. This property has a great impact on operations such as stratification. The physical properties of
This compound play an extraordinary role in organic synthesis, medicinal chemistry and other fields, laying the foundation for related research and applications.
What is the main use of 1H - Benzimidazole, 5 - methoxy - 1 - methyl - (9CI)?
5-Methoxy-1-methyl-1H-benzimidazole (9CI) is an organic compound. It has a wide range of uses in the field of medicine and is often used as a key intermediate in drug synthesis. Through specific chemical modifications and reactions, compounds with unique pharmacological activities can be constructed and have therapeutic effects on various diseases, such as the development of anti-cancer and antiviral drugs.
In the field of materials science, or can participate in the creation of functional materials. Its structural properties endow materials with unique physical and chemical properties, such as improving the optical and electrical properties of materials, and show potential application value in optoelectronic materials, sensors and other fields.
In the field of organic synthetic chemistry, it is an important synthetic building block. Chemists can build complex organic molecular structures with the help of various chemical reactions according to their structural characteristics, promoting the development of organic synthetic chemistry, providing an effective way to create novel organic compounds, and then meeting the needs of different fields for special organic compounds.
In addition, it may also make a difference in the field of agricultural chemicals, or can participate in the synthesis of pesticides with specific biological activities, plant growth regulators, etc., to help agricultural development and improve crop yield and quality.
Overall, although 5-methoxy-1-methyl-1H-benzimidazole is a small organic molecule, it plays an important role in many fields with its unique structure. With the deepening of scientific research, it is expected to explore more potential uses.
What are the preparation methods of 1H - Benzimidazole, 5 - methoxy - 1 - methyl - (9CI)?
The preparation method of 5-methoxy-1-methyl-1H-benzimidazole (9CI) is an important issue in organic synthesis. To prepare this compound, various paths can be started.
One is to use o-phenylenediamine and methoxyacetic acid as starting materials. Under suitable reaction conditions, such as in a specific solvent, with a suitable catalyst, the condensation reaction is carried out. Usually, concentrated sulfuric acid or p-toluenesulfonic acid can be selected as the catalyst, and the solvent can be selected as an organic solvent with a high boiling point, such as toluene. Under the condition of heated reflux, the amino group of o-phenylenediamine and the carboxyl group of methoxyacetic acid are condensed to form an amide intermediate first, and then cyclized within the molecule to generate 5-methoxy-1-methyl-1H-benzimidazole. The raw materials of this method are relatively common, and the reaction steps are relatively clear. However, it is necessary to pay attention to the precise control of the reaction conditions to prevent the occurrence of side reactions.
Second, 1-methyl-1H-benzimidazole-5-ol can also be used as the starting material. React it with suitable methylation reagents, such as dimethyl sulfate or iodomethane, in an alkaline environment. The base can be selected from potassium carbonate, sodium hydroxide, etc., and reacted in suitable solvents such as acetone or N, N-dimethylformamide. The alkaline conditions promote the conversion of alcohol hydroxyl groups to alkoxide anions, and then nucleophilic substitution reactions with methylation reagents, and finally obtain the target product 5-methoxy-1-methyl-1H-benzimidazole. The key to this path lies in the selection of methylation reagents and the regulation of the basicity of the reaction system to ensure the high efficiency and selectivity of the reaction.
In addition, there are other synthesis ideas. For example, the target molecular structure can be gradually constructed from the basic organic raw materials by designing a more complex multi-step reaction route. However, such methods often have many steps and require high reaction conditions and operation skills. In the actual preparation process, it is necessary to comprehensively consider the cost of raw materials, reaction yield, difficulty of operation and many other factors, and carefully select the most suitable preparation method.
1H - Benzimidazole, 5 - methoxy - 1 - methyl - (9CI) What are the safety precautions?
5-Methoxy-1-methyl-1H-benzimidazole (9CI) is an organic compound. Safety precautions are important when using this substance. The following items should be kept in mind:
First, this substance is potentially toxic. It may have adverse effects on the human body such as irritation, allergies, and even long-term exposure or ingestion will damage organ function. Therefore, when operating, do not contact directly, avoid inhalation through the mouth and nose, and do not eat it by mistake. If it comes into contact with the skin, rinse with plenty of water immediately; if it splashes into the eyes, rinse quickly with running water and seek medical attention. < Br >
Second, in terms of chemical properties, this compound may be unstable under specific conditions, and may be at risk of combustion or explosion in case of open flames, hot topics or strong oxidants. When storing and using, keep away from fire and heat sources, and avoid mixing with strong oxidants.
Third, its preparation and use often involve organic solvents and chemical reagents. Such solvents are volatile and flammable, and some are also toxic. The operation must be carried out in a well-ventilated place, or with the help of a fume hood, to reduce the concentration of harmful gases, and at the same time keep away from open flames to prevent fires and explosions.
Fourth, the disposal of this material should be cautious. Discarded 5-methoxy-1-methyl-1H-benzimidazole and its reaction products should not be discarded at will. They should be disposed of in accordance with relevant regulations and environmental protection requirements, and appropriate methods should be used to prevent pollution to the environment.
Fifth, the protection of relevant personnel should not be ignored. When operating, it is advisable to wear protective clothing, protective gloves, protective glasses and gas masks to ensure your own safety. And before and after operation, be sure to wash your hands.
In short, during the use of 5-methoxy-1-methyl-1H-benzimidazole, safety is the most important thing. Strict operation according to regulations, and good protection and emergency preparedness can prevent problems before they occur.