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1H - Benzimidazole - 5 - carboxylic acid, 7 - methyl - 2 - propyl - what is the chemical structure
1H-benzimidazole-5-carboxylic acid, 7-methyl-2-propyl, the chemical structure of this compound is derived from the core skeleton of benzimidazole. Benzimidazole is a thick heterocyclic structure containing two nitrogen atoms, which is formed by fusing a benzene ring with an imidazole ring.
In this specific structure, there is a hydrogen atom (1H) at position 1 of the benzimidazole ring. Its position 5 is connected with a carboxyl group (-COOH), which gives the compound a certain acidic property. The presence of methyl (-CH 🥰) at position 7 can affect the electron cloud distribution and steric hindrance of the molecule. The long carbon chain structure of the propyl group also affects the physical and chemical properties of the whole molecule, such as the solubility, fat solubility, and interaction with other molecules.
Such a chemical structure makes the compound have unique chemical activity and potential application value, or it can be used in pharmaceutical chemistry, materials science and other fields to demonstrate its unique effectiveness.
What are the physical properties of 1H - Benzimidazole - 5 - carboxylic acid, 7 - methyl - 2 - propyl -
7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid, this is an organic compound. Its physical properties are quite important and play a key role in its performance in various chemical processes and practical applications.
Looking at its properties, under normal temperature and pressure, this compound may be in a solid state, and the specific form may be a crystalline powder, which is closely related to its intermolecular forces and crystal structure. Among its molecular structure, the benzimidazole ring endows it with certain rigidity and stability, while the presence of methyl and propyl groups affects the spatial arrangement and interaction of molecules, thereby affecting its aggregation state.
When it comes to melting point, due to the interaction between molecules such as hydrogen bonds and van der Waals forces, it requires a specific energy to break the lattice structure and realize the phase transition. The exact melting point value needs to be determined experimentally and accurately, but the approximate range can be estimated by compounds with similar structures. Generally speaking, compounds containing benzimidazole rings have relatively high melting points, and the substitution of methyl and propyl groups may change slightly, but the amplitude is limited.
In addition to solubility, the solubility of this compound varies in different solvents. In polar solvents, such as water, although there are carboxyl groups in the molecule that can form hydrogen bonds with water, the presence of benzimidazole rings and alkyl groups adds to the non-polarity of the molecule, so the overall solubility in water may be quite limited. However, in polar aprotic solvents such as dimethyl sulfoxide (DMSO) and N, N-dimethylformamide (DMF), the solubility should be improved due to the interaction between the carboxyl group and the solvent molecule. In non-polar solvents, such as n-hexane, the solubility should be extremely low due to the weak van der Waals force between the non-polar part and the non-polar solvent.
In addition, the density of the compound is also an important physical property. Its density is related to the molecular mass and the degree of intermolecular packing. Its accurate density value can be obtained by theoretical calculation or experimental measurement, which is crucial in chemical operations involving mass and volume conversion, such as solution preparation, reaction material measurement, etc.
What is the main use of 1H - Benzimidazole - 5 - carboxylic acid, 7 - methyl - 2 - propyl -
1H-benzimidazole-5-carboxylic acid, 7-methyl-2-propyl This compound has a wide range of uses. In the field of medicine, or as a key intermediate for the creation of new drugs. Looking at the development of medicine in ancient and modern times, based on natural or synthetic compounds, it has been developed into a good medicine to save people's suffering. This compound may have a unique chemical structure and activity, and can be turned into a drug with curative effect on specific diseases, such as anti-inflammation, anti-tumor, etc.
It is also useful in the field of materials science. In the past, many new materials were born due to the unique properties of compounds. This compound may be able to participate in material synthesis, endowing materials with specific properties such as stability and conductivity, and is used in electronic devices, polymer materials and other fields.
In scientific research exploration, as a research object, it can help researchers gain insight into the relationship between the structure and properties of benzimidazole compounds. Throughout the ages, the road to scientific research has been paved by in-depth research on substances, which can expand the boundaries of chemical knowledge and lay the foundation for future innovation.
In short, 1H-benzimidazole-5-carboxylic acid, 7-methyl-2-propyl, although intangible and colorless, has unlimited potential in many aspects such as medicine, materials, and scientific research. It is like a pearl hidden in the scientific treasure house, waiting to be discovered and carved by the discerning eye.
What are the synthesis methods of 1H - Benzimidazole - 5 - carboxylic acid, 7 - methyl - 2 - propyl -
The method of synthesizing 7-methyl-2-propyl-1H-benzimidazole-5-carboxylic acid can be obtained by multiple paths.
First, a suitable starting material can be taken first, such as those containing benzene ring and with a specific substituent, and the nitro group is introduced into the benzene ring. This process requires selecting an appropriate nitrifying agent, such as a mixed acid of concentrated nitric acid and concentrated sulfuric acid, and controlling the reaction temperature and time to prevent excessive nitrification. After that, the nitro group is reduced to an amino group with a suitable reducing agent, such as iron powder and hydrochloric acid or hydrogen under the action of a suitable catalyst (such as palladium carbon), to obtain an amino-containing benzene derivative.
Then the amino-containing compound is condensed with diethyl malonate under basic conditions. Sodium ethyl alcohol and the like can be selected as the base to promote the reaction to form an intermediate product. Subsequently, the intermediate product can be hydrolyzed, decarboxylated and other steps to obtain a carboxyl-containing benzimidazole precursor with a specific carbon chain.
Finally, the precursor is methylated, and the methylation reagent such as iodomethane is used. Under the catalysis of an appropriate base, such as potassium carbonate, in a suitable solvent (such as N, N-dimethylformamide), the final result is 7-methyl-2-propyl-1H-benzimidazole-5-carboxylic acid.
Another method can start from o-phenylenediamine containing a specific substituent, and react with suitable carboxylic acid derivatives, such as ethyl 2-bromopropionate, in a suitable solvent (such as toluene) under heating conditions to form the initial product of the benzimidazole ring. After that, the product is hydrolyzed to hydrolyze the ester group in sodium hydroxide solution as the carboxyl group, and then acidified to obtain 7-methyl-2-propyl-1H-benzimidazole-5-carboxylic acid. These methods have their own advantages and disadvantages, and they need to be selected according to the actual situation, such as raw material availability, cost, yield and other factors.
1H - Benzimidazole - 5 - carboxylic acid, 7 - methyl - 2 - propyl - what are the relevant safety precautions
1H-benzimidazole-5-carboxylic acid, 7-methyl-2-propyl This substance is a matter of safety and needs to be treated with caution. As a chemical substance, when it is used in experiments or production, the first thing to pay attention to is protection. It is chemically active, or irritating to the skin and eyes. When operating, when fully armed, wear protective clothing, protective gloves and goggles, so that it can withstand direct contact and keep the body safe.
Ventilation is also key. Be sure to work in a well-ventilated place to prevent the accumulation of harmful gases. If in a confined space, the concentration of the gas gradually increases, or it may cause inhalation poisoning and damage the respiratory system.
In addition, storage is also exquisite. It should be placed in a cool, dry and ventilated place, away from fire and heat sources. Because of its flammability, in case of open flames and hot topics, there is a risk of combustion and explosion. At the same time, it should be stored separately from oxidants, acids, alkalis, etc., and must not be mixed to prevent dangerous chemical reactions.
When transporting, it should not be slack. It must be properly packaged and marked in accordance with relevant regulations to ensure safe transportation and avoid leakage, endangering the environment and personal safety. If it is accidentally leaked, it is necessary to immediately follow the emergency handling procedures, evacuate personnel, isolate the scene, collect or dispose of leaks carefully, and do not panic. In short, for 1H-benzimidazole-5-carboxylic acid, 7-methyl-2-propyl, from operation to storage and transportation, safety guidelines must be strictly observed and should not be taken lightly.