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What is the chemical structure of Methyl 4-Methyl-2-Propyl-1H-benzimidazole-6-Carboxylate?
Methyl-4-methyl-2-propyl-1H-benzimidazole-6-carboxylic acid ester, this is an organic compound. Its chemical structure is derived from the parent nucleus of benzimidazole. Benzimidazole is a nitrogen-containing heterocyclic ring formed by fusing a benzene ring with an imidazole ring.
In this compound, there are different substituents at specific positions of benzimidazole. At position 4, there is a methyl substitution; at position 2, there is a propyl substitution; and at position 6, there is a methyl carboxylate group attached. This structure gives the compound unique chemical and physical properties. Due to its structure containing heterocycles and different functional groups, it can participate in a variety of chemical reactions, and may have potential application value in the fields of organic synthesis and medicinal chemistry. For example, heterocyclic structures are often key parts of drug molecules, giving them specific biological activities and interacting with targets in vivo. Different substituents will affect the hydrophilicity and spatial structure of molecules, further affecting their pharmacological properties and reactivity.
What are the main uses of Methyl 4-Methyl-2-Propyl-1H-benzimidazole-6-Carboxylate?
Methyl-4-methyl-2-propyl-1H-benzimidazole-6-carboxylate, an organic compound. It has a wide range of uses and is often used as a key intermediate in drug synthesis in the field of medicine. The genbenzimidazole structure plays a key role in many drug molecules, and it can be chemically modified to construct drug molecules with specific biological activities. For example, some drugs with antibacterial, antiviral or antitumor activities are involved in the synthesis process. Through precise chemical reactions, it is connected with other functional groups to shape the molecular structure that meets the pharmacological requirements.
In the field of materials science, it also has important applications. It can be used as a raw material for the synthesis of specific functional materials, such as some materials with unique optical and electrical properties. After specific processing, this compound can be integrated into the material system, giving novel properties to the material, such as improving the stability, conductivity or luminescence properties of the material, so as to meet the special requirements of different fields such as electronic devices and optical displays for material properties.
In agriculture, it may be used to develop new pesticides. Due to its special chemical structure, pesticide products that have efficient control effects on specific pests and diseases may be developed, and compared with traditional pesticides, it is expected to have lower toxicity and better environmental compatibility, providing support for sustainable agricultural development.
What are the physical properties of Methyl 4-Methyl-2-Propyl-1H-benzimidazole-6-Carboxylate?
Methyl-4-methyl-2-propyl-1H-benzimidazole-6-carboxylate is an organic compound. Its physical properties are very important for its application in various fields.
When it comes to appearance, this substance is often in the form of white to off-white crystalline powder. This appearance characteristic makes it visually easy to distinguish, and in many substance mixing systems, it can be preliminarily identified by this characteristic.
Its melting point is also a key physical property. Generally speaking, the compound has a specific melting point range, which is of great significance for determining its purity and material properties. By accurately measuring the melting point, it is possible to know whether the substance is pure. If impurities are mixed in, the melting point will often change, or decrease, or the melting range will become wider.
In terms of solubility, it exhibits certain solubility characteristics in common organic solvents such as ethanol and dichloromethane. Moderate solubility gives it unique advantages in the field of organic synthesis and drug development, because it can participate in various chemical reactions with the power of solvents, or play a specific role as a carrier of active ingredients.
Furthermore, its density cannot be ignored. Although the density value may vary slightly due to measurement conditions, it has a relatively stable density value under standard conditions. This physical parameter is an important consideration in many industrial operations such as separation and purification, and can help design efficient processes.
The physical properties, appearance, melting point, solubility and density of this compound play a crucial role in its application in many fields such as organic synthesis, drug research and development, and chemical production, laying a solid foundation for in-depth exploration of its chemical properties and practical uses.
What is the synthesis method of Methyl 4-Methyl-2-Propyl-1H-benzimidazole-6-Carboxylate?
The synthesis of methyl-4-methyl-2-propyl-1H-benzimidazole-6-carboxylic acid esters is an important topic in the field of organic synthesis. The synthesis of this compound often requires delicate steps and suitable conditions.
The selection of starting materials is very critical, often based on compounds containing benzene rings and imidazole rings. For example, benzaldehyde and diethyl malonate with suitable substituents can be selected as starting materials. First, benzaldehyde and diethyl malonate are used under the action of basic catalysts such as piperidine to form intermediates with double bonds according to the condensation reaction mechanism of Knoevenagel. This reaction requires control of temperature and reaction time. Generally, the reaction is heated moderately, such as between 60 and 80 ° C, and the reaction is carried out for several hours to ensure that the reaction is fully carried out.
The obtained intermediate is then cyclized to form an imidazole ring. Usually with the help of a suitable ammonia source, such as ammonia or organic amines, in a high temperature and a specific solvent such as dimethylformamide, the cyclization process is carried out to form benzimidazole-like primary products. At this stage, attention should be paid to the pH of the reaction system and the anhydrous conditions of the reaction environment to improve the reaction efficiency and product purity.
The primary product needs to be followed by the introduction of methyl and propyl The common reagents for methylation are iodomethane or dimethyl sulfate. Under basic conditions, such as the presence of potassium carbonate, it reacts with the primary product to introduce methyl at a specific location. Propylation can be selected from propyl halide such as 1-bromopropane, which is catalyzed by metal catalysts such as copper salts to achieve propyl access.
Finally, the target product methyl-4-methyl-2-propyl-1H-benzimidazole-6-carboxylic acid ester is formed by esterification reaction. The corresponding carboxylic acid and methanol can be heated and refluxed for several hours under the catalysis of concentrated sulfuric acid to obtain the target product. The product needs to be purified by column chromatography or recrystallization to achieve high purity.
What are the precautions for using Methyl 4-Methyl-2-Propyl-1H-benzimidazole-6-Carboxylate?
When using methyl-4-methyl-2-propyl-1H-benzimidazole-6-carboxylate, many matters need to be paid attention to.
The first priority is safety, which is the foundation of everything. Because of its specific chemical activity, contact with the human body or cause adverse effects. When operating, be sure to be fully armed, wear protective clothing, wear protective gloves, and wear protective goggles for the eyes. Beware of touching the skin and eyes, and do not inhale its volatile gas. In case of accidental contact, rinse with plenty of water immediately, and seek medical treatment in time according to the actual situation.
Furthermore, its chemical properties are unique, and storage needs to be treated with caution. It should be stored in a cool, dry and well-ventilated place, away from fire and heat sources to avoid danger. At the same time, it should be stored separately from oxidizing agents, acids, alkalis and other substances to prevent chemical reactions. After taking it, the container needs to be properly sealed to prevent it from reacting with air, moisture, etc., resulting in deterioration.
During use, it is essential to accurately control the dosage. According to specific reaction needs and experimental requirements, accurately weigh the required amount to avoid waste, and prevent improper dosage from affecting the reaction effect or even causing accidents. For reaction conditions, such as temperature, pressure, reaction time, etc., it is also necessary to strictly control. Due to its reactivity or changes in conditions, a slight deviation may lead to poor reaction results.
In addition, the experimental site must be kept clean and tidy. After the operation is completed, clean up the used utensils in time, and properly dispose of the remaining methyl-4-methyl-2-propyl-1H-benzimidazole-6-carboxylate and related wastes. They must not be discarded at will. They should be disposed of safely and environmentally in accordance with relevant regulations. In this way, the use process can be ensured smoothly, and the safety of personnel and the environment will not be damaged.