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What is the chemical structure of 2- ((R) -2-Methylpyrrolidin-2-yl) -1H-benzimidazole-4-carboxamide?
This is the formula of an organic compound, which is called 2- ((R) -2 -methylpyrrolidine-2-yl) -1H -benzimidazole-4-formamide. To clarify its chemical structure, the composition of each part should be analyzed in detail.
"2 -" shows that the substituent is attached to the No. 2 position of the main structure. " (( R) -2 -methylpyrrolidine-2-yl) ", where" (R) "indicates that the configuration of the chiral center is R-type, pyrrolidine is a five-membered nitrogen-containing heterocycle, and 2-methyl is connected to the pyrrolidine at position 2, and this group is connected to the main structure at position 2.
" 1H -benzimidazole ", which is a structure formed by fusing the benzene ring with the imidazole ring. The" 1H "epimidazole ring has a hydrogen atom at position 1. And" -4-formamide "means that the nail amide group is connected to the benzimidazole ring at position 4.
Its chemical structure can be regarded as a benzimidazole ring as the core, with a methylpyrrolidine group with a specific configuration at position 2 and a formamide group at position 4. This structure endows the compound with unique chemical properties and potential biological activities, which may be of great significance in the fields of organic synthesis and medicinal chemistry.
2- ((R) -2-Methylpyrrolidin-2-yl) What are the physical properties of -1H-benzimidazole-4-carboxamide?
2-%28%28R%29-2-Methylpyrrolidin-2-yl%29-1H-benzimidazole-4-carboxamide is an organic compound. Its physical properties are quite important, and it is related to many characteristics and applications of this compound.
Looking at its appearance, it often takes the form of white to off-white crystalline powder, which makes it easy to handle in many chemical operations and preparations. Because of its fluidity and dispersion, it is easy to mix with other substances to a certain extent.
Melting point is an important physical parameter, about [X] ℃. The melting point characteristic is of great significance when identifying and purifying this compound. By melting point determination, its purity can be determined. If the purity is high, the melting point range is narrow and close to the theoretical value; if it contains impurities, the melting point will be reduced and the melting range will be widened.
In terms of solubility, it has good solubility in organic solvents such as dichloromethane, N, N-dimethylformamide (DMF). This property is conducive to being used as a reaction substrate in organic synthesis, and can participate in various chemical reactions in these solvent systems. However, the solubility in water is relatively poor, which limits its application in aqueous systems.
In addition, the compound has certain stability and can be stored for a period of time at room temperature and pressure, but it needs to avoid high temperature, strong light and strong oxidizing agents, because some chemical bonds in its structure may change under specific conditions, affecting its chemical properties and purity. < Br >
Knowing the physical properties of 2-%28%28R%29-2-Methylpyrrolidin-2-yl%29-1H-benzimidazole-4-carboxamide is crucial for its application in organic synthesis, drug development and other fields, and can be used to select suitable reaction conditions and treatment methods.
2- ((R) -2-Methylpyrrolidin-2-yl) What are the main uses of -1H-benzimidazole-4-carboxamide?
2-%28%28R%29-2-Methylpyrrolidin-2-yl%29-1H-benzimidazole-4-carboxamide is an organic compound that has shown unique uses in many fields.
In the field of pharmaceutical research, such compounds are often key starting materials for the development of new drugs. Due to their specific chemical structure, they may interact with specific targets in organisms, such as specific proteins, enzymes or receptors. By binding precisely, they may regulate specific physiological processes in organisms, and then provide the possibility of treating specific diseases. For example, it may be able to regulate certain cell signaling pathways and correct abnormal physiological activities related to diseases. It has potential application value in the development of anti-cancer drugs and the development of drugs for the treatment of neurological diseases.
In the field of chemical synthesis, this compound can be used as an important intermediate. Due to the active check point of its structure, it can react with other chemical groups or compounds through various chemical reactions to build more complex organic molecular structures. Chemists can use this to synthesize new compounds with specific functions or properties to meet the needs of materials science, fine chemistry and many other fields.
In the field of materials science, materials derived from or related to it, or exhibit unique physical and chemical properties. Such as, or have specific optical and electrical properties, can be used to prepare materials with special functions, such as optoelectronic materials, etc., in electronic devices, optical devices, etc., or can play an important role.
What are the synthesis methods of 2- ((R) -2-Methylpyrrolidin-2-yl) -1H-benzimidazole-4-carboxamide?
To prepare 2- ((R) -2-methylpyrrolidine-2-yl) -1H-benzimidazole-4-formamide, the following method can be followed.
The first is the choice of starting materials. Commonly used, the compound containing benzimidazole and pyrrolidine structure is used as the base. For example, a suitably substituted benzimidazole derivative and a chiral pyrrolidine derivative can be selected as the starting substance of the reaction.
One method is through nucleophilic substitution. If a suitably halogenated benzimidazole derivative can react with (R) -2-methylpyrrolidine-2-amine. In this reaction, the nitrogen atom of the amine group is nucleophilic and can attack the carbon attached to the halogen atom of the halogenated benzimidazole. The halogen ions leave, and then form carbon-nitrogen bonds to obtain the target molecular structure. The reaction needs to choose a suitable base to grab the halogenated hydrogen generated by the reaction, promote the positive progress of the reaction, and choose a suitable solvent, such as N, N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), etc., in order to facilitate the dissolution of the reactants and the reaction.
Furthermore, the cyclization reaction strategy can be used. If there is a suitable linear precursor, containing the relevant functional groups of benzimidazole and pyrrolidine, under suitable conditions, it will undergo molecular inner cyclization. For example, when a linear molecule has an amino group at one end and a carbonyl group or a carboxyl group that can react with an amino group to form a ring at the other end, under the catalysis of an acid or base, through condensation and other steps, benzimidazole and pyrrolidine are formed into a ring system, and then the target product is appropriately modified.
Or a reaction catalyzed by transition metals can be used. For example, a coupling reaction catalyzed by palladium, a borate ester or halide containing benzimidazole structure, and a substrate containing (R) -2-methylpyrrolidine-2-yl halide or olefin, in the presence of a palladium catalyst, ligand and base, the formation of carbon-carbon or carbon-nitrogen bonds is realized to construct the target compound. In this process, the activity of the palladium catalyst and the structure of the ligand have a great influence on the selectivity and yield of the reaction, so fine screening is required.
After the reaction is completed, the product often contains impurities, so it needs to be separated and purified. According to the properties of the product and impurities, extraction, column chromatography, recrystallization and other methods can be selected to obtain purified 2- ((R) -2-methylpyrrolidine-2-yl) -1H-benzimidazole-4-formamide.
2- ((R) -2-Methylpyrrolidin-2-yl) What are the relevant safety precautions for -1H-benzimidazole-4-carboxamide?
2-%28%28R%29-2-Methylpyrrolidin-2-yl%29-1H-benzimidazole-4-carboxamide is a chemical substance that is related to safety when used, and the following numbers should be paid attention to:
First, this chemical may have specific toxicological properties. After exposure or ingestion, it may affect human health. In laboratory scenarios, if the protection is not good, skin contact or cause allergies, irritation, redness, swelling, itching. Inhalation of its dust or volatiles may involve the respiratory tract, induce cough, asthma, and even more serious respiratory disorders. Therefore, when operating, be sure to wear protective clothing, gloves, protective masks and suitable respiratory equipment to prevent harmful substances from contacting the human body.
Second, the chemical activity of the substance also needs attention. Under specific conditions, or react with other chemicals. When storing, it should be avoided to mix with incompatible substances according to their chemical properties. For example, some strong oxidizing agents and reducing agents may cause fire and explosion if they come into contact with or react violently. The storage environment should also be dry, cool and ventilated, away from fire and heat sources to ensure its stability.
Third, waste treatment should not be underestimated. The waste containing this substance produced in the experiment must not be discarded at will. It is necessary to follow relevant environmental protection regulations and laboratory regulations, collect and deal with it separately. Some of them can be degraded by specific chemical methods to reduce their harm, and then discharged as required. If not handled properly, it will flow into the environment, or pollute soil and water sources, endangering the ecology.
Fourth, when using this substance, the experimental operation standard is the key. Strictly follow the established procedures and operating procedures to precisely control the dosage and reaction conditions. In the operation links such as heating and stirring, the parameters should be controlled to avoid danger caused by operation errors. At the same time, the laboratory should prepare emergency treatment equipment and drugs, such as eye washers and spray devices, so that it can respond in time when an accident occurs.