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What is the chemical structure of methyl 4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate
Look at this "methyl + 4 - fluoro - 5 - (phenylamino) - 1H - benzimidazole - 6 - carboxylate", which is the name of organic chemistry. In ancient Chinese, this is the name of a class of compounds.
Its chemical structure can be deduced from its name. "Methyl" shows methyl, which is a group containing one carbon and three hydrogens, often attached to the molecular backbone. "4 - fluoro" indicates that at a specific position in the molecule, that is, at position 4, there are fluorine atoms attached. Fluorine is a halogen element and has strong electronegativity. " 5 - (phenylamino) ", which means that the No. 5 position is connected with a phenylamino group. The phenylamino group is formed by connecting a benzene ring with an amino group. The benzene ring is a six-membered ring structure with aromatic properties, and the amino group contains nitrogen and hydrogen." 1H - benzimidazole ", which is the basic structure of benzimidazole, is formed by fusing a benzene ring with an imidazole ring. The imidazole ring is a five-membered heterocycle containing two nitrogen atoms." 6 - carboxylate "means that the No. 6 position is connected with a carboxylic acid ester group, which is obtained by the reaction of a carboxylic group with an alcohol to form an ester.
The chemical structure of this compound is based on benzimidazole as the core, with fluorine at position 4, phenylamino at position 5, and methyl carboxylate at position 6. The methyl group is attached to the main chain like a branch, the fluorine atom is embedded in position 4 like a pearl, the phenylamino group is attached to position 5 like a vine, and the carboxylate group is suspended in position 6 like a pendant. The parts are connected to each other to form this unique chemical structure. In this way, the chemical structure of this "methyl + 4 - fluoro - 5 - (phenylamino) - 1H - benzimidazole - 6 - carboxylate" can be clarified.
What are the main physical properties of methyl 4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate
Methyl-4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate, this is an organic compound. Its main physical properties are as follows:
Looking at its appearance, it is often in the shape of white to light yellow crystalline powder. This compound is quite stable at room temperature and pressure. In case of high temperature, open flame or strong oxidant, it may cause chemical reaction, so it needs to be properly stored.
Talking about solubility, it has a certain solubility in organic solvents, such as dichloromethane, N, N-dimethylformamide, but has little solubility in water. This solubility characteristic is due to the fact that its molecular structure contains both hydrophobic aromatic ring parts and groups with certain polarity, so the overall hydrophobic effect is dominant.
The melting point is experimentally determined to be in a certain temperature range (the specific value varies depending on the experimental conditions). Melting point is an important physical parameter for identifying the compound, which is of great significance in the field of quality control and purity analysis. Its melting point is affected by intermolecular forces, and the hydrogen bonds and van der Waals forces in the molecule all contribute to the melting point.
Furthermore, its density is also an important physical property. Although the exact value varies according to the specific measurement conditions, it is roughly within a certain range. The density is closely related to the degree of molecular accumulation, which is of great significance to the study of the behavior of compounds in different media.
The vapor pressure of this compound is extremely low, and it evaporates very slowly at room temperature. This property determines that it is not easy to dissipate in gaseous form in general environment. When storing and using, its low volatility characteristics should be taken into account.
Where is methyl 4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate used?
Methyl 4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate, this is an organic compound. It has applications in many fields, and I will tell you in detail.
In the field of pharmaceutical research and development, such benzimidazole derivatives are often found. The benzimidazole structure has a variety of biological activities, or can act on specific biological targets. For example, some compounds containing benzimidazole structure can regulate the activity of specific enzymes. Methyl 4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate, or due to the introduction of fluorine atoms and phenylamino groups, gives its unique pharmacological properties, or can be used for the creation of antibacterial, anti-tumor and other drugs, which is expected to contribute to human health and well-being.
In the field of materials science, the compound also has potential applications. The unique structure of organic compounds can endow materials with special properties. If it is introduced into polymer materials, it can change the optical and electrical properties of materials. Due to the conjugated structure of the benzimidazole ring, the material may have a certain photoelectric conversion ability, and may play a role in the field of organic Light Emitting Diode (OLED), solar cells and other photovoltaic materials, injecting new vitality into the development of materials science.
In the agricultural field, such compounds may be used as precursor structures for pesticide creation. With the growing demand for environmentally friendly pesticides, it is urgent to develop new pesticides with high efficiency and low toxicity. The special structure of methyl 4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate may give it an inhibitory effect on specific pests and pathogens, and it has little impact on the environment. It is expected to become an important direction for the research and development of new pesticides and contribute to the sustainable development of agriculture.
What are the synthesis methods of methyl 4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate
The synthesis method of methyl-4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylic acid ester can be obtained from many ways.
First, fluorobenzoic acid can be started. First, fluorobenzoic acid is co-heated with thionyl chloride to convert the carboxyl group into an acid chloride. This step needs to be at a suitable temperature and duration to ensure the complete reaction. After the acid chloride is formed, it is condensed with aniline to obtain fluorobenzoyl aniline. In the condensation reaction, the choice of solvent and the addition of catalyst all affect the reaction effect. After that, fluorobenzoylaniline and o-phenylenediamine are reacted in suitable solvents and heating conditions, and then cyclized to form the benzimidazole structure of the target. In this process, the temperature, reaction time and the proportion of the reactants need to be precisely controlled.
Second, 4-fluoro-5-nitro-1H-benzimidazole-6-carboxylic acid ester is used as raw material. Nitro is first reduced, and nitro is converted into amino groups by reducing agents such as hydrogen and palladium carbon, or iron and hydrochloric acid systems. After obtaining 4-fluoro-5-amino-1H-benzimidazole-6-carboxylic acid ester, it reacts with halogenated benzene under the action of base and catalyst to realize the aromatization of amino groups, that is, the introduction of phenylamino groups, so as to obtain the target product. In this route, the control of the reduction reaction conditions and the selection of reagents and the setting of reaction parameters for the arylation reaction are quite critical.
Third, 2-fluoroaniline and cyanoacetate methyl ester are used as starting materials. The two first condensate to form an intermediate product. After a series of reactions such as cyclization, nitrification, reduction and arylation, the target molecular structure is gradually constructed. There are many steps in this path, and the purification and condition optimization of each step have a great impact on the purity and yield of the final product. Each method has its advantages and disadvantages, and it needs to be selected according to the actual needs and conditions.
Market prospects for methyl 4-fluoro-5- (phenylamino) -1H-benzimidazole-6-carboxylate
The market prospect of methyl + 4 - fluoro - 5 - (phenylamino) - 1H - benzimidazole - 6 - carboxylate is also seen from multiple perspectives.
From the perspective of the pharmaceutical field, benzimidazole compounds often have various biological activities, such as antibacterial, antiviral, anti-tumor, etc. This compound contains fluorine atoms and phenylamino groups, which may enhance its binding to biological targets and exhibit unique pharmacological activities. Today, anti-tumor and anti-infective drugs are in demand. If this compound is further researched and developed, it can emerge in these fields, or it can open up a broad market.
In the field of pesticides, fluorobenzimidazole derivatives may have good insecticidal, bactericidal and herbicidal activities. Today, green and efficient pesticides are the general trend. If they can meet this demand, they may have potential in ensuring crop harvest and reducing chemical pesticide hazards, and the market potential should not be underestimated.
Furthermore, from the perspective of research and development, its unique structure provides new opportunities for organic synthetic chemists. By modifying its substituents, a series of compounds can be derived, enriching the chemical material library, and promoting the development of organic synthetic chemistry. This process may also give rise to new synthetic methods and technologies, further expanding their application fields, thereby enhancing market value.
However, its market prospects also face challenges. Drug development requires long and expensive clinical trials to prove its safety and effectiveness. In terms of pesticides, strict environmental and food safety standards also need to be met. But overall, if methyl + 4 - fluoro - 5 - (phenylamino) - 1H - benzimidazole - 6 - carboxylate can properly meet the challenges and give full play to its own structural advantages, its market prospects may be bright, and it is expected to gain an important place in the fields of medicine, pesticides and related scientific research.