Chemical Formula | C14H10ClFN2 |
Molar Mass | 260.697 g/mol |
Appearance | Solid (predicted) |
Solubility | Solubility in water is low. Soluble in organic solvents like DMSO |
Logp | Calculated logP values suggest it has lipophilic nature |
Stability | Stable under normal conditions. Avoid strong oxidizing agents |
Chemical Formula | C14H10ClFN2 |
Molecular Weight | 260.698 g/mol |
Appearance | Solid (predicted) |
Boiling Point | 456.4°C at 760 mmHg (predicted) |
Melting Point | 173 - 175 °C |
Density | 1.386 g/cm³ (predicted) |
Logp | 3.81 (predicted) |
Solubility | Soluble in organic solvents like DMSO |
Pka | 1.98 (predicted) |
Vapor Pressure | 1.43E-09 mmHg at 25°C (predicted) |
What are the chemical properties of 2-Chloro-1- (4-Fluorobenzyl) -1H-Benzimidazole?
2-Chloro-1- (4-fluorobenzyl) -1H-benzimidazole is an organic compound. Looking at its structure, the benzimidazole parent nucleus is connected to the chlorine atom and 4-fluorobenzyl group. This structure gives it unique chemical properties.
From the theory of reactivity, the nitrogen atom on the benzimidazole ring has a lone pair electron, which is basic to a certain extent and can form a salt with an acid. Because the electron cloud density of the nitrogen atom is affected by the linked group, the presence of the 4-fluorobenzyl group and the chlorine atom changes the electron cloud distribution of the benzimidazole ring, or affects its basic strength.
The chlorine atom is active and can participate in the nucleophilic substitution reaction. In the case of nucleophiles, chlorine atoms are easily replaced to form new derivatives. If the reaction with nucleophiles containing hydroxyl groups and amino groups, chlorine atoms may be replaced by hydroxyl groups and amino groups, providing a way for the synthesis of various benzimidazole derivatives.
4-Fluorobenzyl has high electronegativity of fluorine atoms, which makes the benzyl electron cloud biased towards fluorine atoms and affects the reactivity of benzyl groups. This group can enhance the lipid solubility of the compound, or affect its absorption, distribution, metabolism and excretion in vivo.
In terms of redox, if the compound encounters strong oxidants, the benzimidazole ring or the benzyl part may be oxidized; in the case of strong reducing agents, some unsaturated bonds may be reduced. However, the specific redox behavior depends on the reaction conditions and the reagents used.
In terms of stability, the compound is relatively stable under normal conditions. However, extreme conditions such as high temperature, strong acid, strong base or light, or their structure changes, trigger decomposition or other chemical reactions.
In summary, 2-chloro-1- (4-fluorobenzyl) -1H-benzimidazoline has a unique structure and has diverse chemical properties, which may have potential applications in organic synthesis, pharmaceutical chemistry and other fields.
What are the main uses of 2-Chloro-1- (4-Fluorobenzyl) -1H-Benzimidazole?
2-Chloro-1- (4-fluorobenzyl) -1H-benzimidazole is an organic compound. It has a wide range of uses and many important applications in the field of medicinal chemistry.
First, it can be used as a pharmaceutical intermediate. In the process of creating new anti-parasitic drugs, this compound plays a key role. Due to its unique chemical structure, it can interact with specific biomolecules in parasites, inhibit their growth, reproduction, or interfere with their metabolic pathways, thereby achieving anti-parasitic effects. For example, when developing drugs against intestinal parasites or blood parasites, 2-chloro-1- (4-fluorobenzyl) -1H-benzimidazole is often used as the starting material. After multi-step chemical reaction, a new anti-parasite drug with high activity and selectivity is carefully constructed.
Second, it also has potential use in the field of materials science. Its molecular structure gives certain stability and special electronic properties, or it can be used to prepare functional materials. For example, it can be used as a component of organic semiconductor materials in devices such as organic Light Emitting Diodes (OLEDs) or organic field effect transistors (OFETs) to improve the performance and efficiency of such devices through their unique electron transmission properties.
Third, in agricultural chemistry, it may provide a foundation for the creation of new pesticides. It can be used to design and synthesize pesticide products with high insecticidal activity and environmental friendliness for specific crop pests, so as to help agricultural pest control and ensure crop yield and quality.
To sum up, 2-chloro-1- (4-fluorobenzyl) -1H-benzimidazole has shown considerable application prospects in many fields such as medicine, materials and agriculture, and is an organic compound of great value.
What is the synthesis method of 2-Chloro-1- (4-Fluorobenzyl) -1H-Benzimidazole?
To prepare 2-chloro-1- (4-fluorobenzyl) -1H-benzimidazole, the method is as follows:
Take 4-fluorobenzyl alcohol first, react with appropriate halogenating reagents, such as thionyl chloride or phosphorus trichloride, etc., to obtain 4-fluorobenzyl halide. In this step, the molar ratio of the halogenating reagent to 4-fluorobenzyl alcohol should be carefully prepared, generally about 1.2-1.5:1. The reaction temperature can be controlled between 50-70 ° C. After several times, the reaction can obtain a good yield. < Br > Then take the o-phenylenediamine and blend it with the 4-fluorobenzyl halide obtained above in a suitable solvent, such as N, N-dimethylformamide (DMF) or toluene. Add an appropriate amount of base, such as potassium carbonate or sodium carbonate, to promote the reaction. The molar ratio of o-phenylenediamine to 4-fluorobenzyl halide is about 1 - 1.2:1. The reaction temperature can be maintained at 80 - 120 ° C for the duration of the reaction. After the reaction is completed, pure 2-chloro-1- (4-fluorobenzyl) -1H-benzimidazole can be obtained by ordinary separation and purification methods, such as column chromatography or recrystallization. During column chromatography, choose the appropriate eluent, depending on the polarity of the product. During recrystallization, choose a suitable solvent, such as ethanol or ethyl acetate, to recrystallize the product to obtain pure crystals.
What is the market outlook for 2-Chloro-1- (4-Fluorobenzyl) -1H-Benzimidazole?
Today, there are 2-chloro-1- (4-fluorobenzyl) -1H-benzimidazole, who want to know its market prospects. This is a class of organic compounds, or in the fields of medicine, pesticides and other emerging.
Looking at the field of medicine, benzimidazole compounds often have diverse biological activities. Many studies have revealed that they can be used as lead compounds for anti-cancer, antibacterial, anti-parasitic and other drugs. 2-chloro-1- (4-fluorobenzyl) -1H-benzimidazole may have unique pharmacological properties due to the existence of specific substituents. For example, the introduction of fluorine atoms may change the lipid solubility and metabolic stability of compounds, which in turn affect their bioavailability and efficacy. Therefore, if its pharmacological activity is further explored, or new specific drugs are expected to be developed, it will occupy a place in the field of disease treatment.
As for pesticides, benzimidazole derivatives are also often used as fungicides and insecticides. 2-Chloro-1- (4-fluorobenzyl) -1H-benzimidazole may have inhibitory or killing effects on certain crop diseases and pests. Today, the demand for green pesticides is on the rise. If this compound can meet the characteristics of high efficiency, low toxicity and environmental friendliness, it will be able to find a wide world in the pesticide market.
However, looking at the market prospects, there are also challenges. Optimization of the synthesis process is crucial. If the synthesis steps are complicated and costly, its large-scale production and application will be limited. Furthermore, safety and Environmental Impact Assessment are also indispensable. Only through rigorous testing to ensure that it is harmless to humans and the environment can it be recognized by the market.
In summary, although 2-chloro-1 - (4-fluorobenzyl) -1H-benzimidazole has an addressable market opportunity, it is necessary for scientific research and industry to join hands to overcome problems such as synthesis and safety in order to make its market prospect from potential to reality and shine in the fields of medicine and pesticides.
What are the precautions for using 2-Chloro-1- (4-Fluorobenzyl) -1H-Benzimidazole?
2-Chloro-1- (4-fluorobenzyl) -1H-benzimidazole is an organic compound. During use, many matters need to be paid attention to.
Bear the brunt, and safety protection must not be ignored. This compound may have certain toxicity and irritation. When operating, protective equipment must be comprehensive. If you wear appropriate protective gloves to prevent it from touching the skin, due to skin contact or causing adverse consequences such as allergies and burns. At the same time, goggles are also indispensable, which can effectively prevent it from splashing into the eyes and causing serious damage to the eyes. In addition, respiratory protection is also very critical. It is advisable to operate in a well-ventilated place, or wear a gas mask to prevent inhalation of dust or volatile gases from the compound, so as not to irritate the respiratory tract or even cause more serious health problems.
Furthermore, storage conditions must also be treated with caution. It should be stored in a cool, dry and well-ventilated place, away from fire and heat sources. Because it may be flammable, there is a risk of open flame, hot topic or combustion explosion. At the same time, it should be stored separately from oxidants, acids, alkalis, etc., to avoid chemical reactions, deterioration or danger.
When using, precise operating procedures must be strictly followed. Before the experiment, be sure to be familiar with the relevant reaction conditions and the use of the instrument. When weighing the compound, be sure to operate it accurately, because the amount of dosage may have a significant impact on the reaction result. During the reaction process, the temperature, reaction time and other conditions must also be closely monitored and precisely controlled to ensure that the reaction proceeds smoothly in the expected direction and avoid side reactions.
Waste treatment should not be ignored. After use, the remaining compounds and related waste must not be discarded at will. It should be properly disposed of in accordance with local environmental regulations. Or handed over to a professional waste treatment agency to prevent pollution to the environment.
In conclusion, when using 2-chloro-1- (4-fluorobenzyl) -1H-benzimidazole, all aspects of safety, storage, operation and waste disposal must be carefully handled to ensure the safety of personnel and the environment, and to ensure the smooth development of experiments or production.