What is the chemical structure of 4- [ (2-chloro-5-iodophenyl) methyl] phenol?

The chemical structure of 4- [ (2-cyanobenzyl-5-chlorobenzyl) benzonitrile] benzonitrile is a key issue in the field of organic chemistry. The analysis of the structure of this compound needs to follow the basic principles and analytical methods of organic chemistry.

Looking at its naming, the functional groups of each part can be identified first. "Cyanide", referred to as the -CN functional group, has strong electronegativity and reactivity. "Chlorine" is the -Cl atom, which also has a significant impact on the properties and reactions of compounds. "Benzyl" is a benzyl group, which is the structural unit of the benzene ring linked to methylene-CH -2 -.

The core part of this compound is benzene nitrile, and its benzene ring is connected with complex substituents. One of them is (2-cyano-5-chlorobenzyl). In this substituent, the 2-cyano group of the benzene ring is connected to the 5-chlorine atom, and the benzene ring is connected to another benzene nitrile through methylene. The other substituent is benzene nitrile, which also has the structure of benzene cyanide, and is connected to the core benzene ring.

From the perspective of spatial structure, the benzene ring is a planar structure, and the substituents such as cyano and chlorine atoms follow the spatial orientation of the benzene ring. The atoms are connected by covalent bonds. Due to the difference in atomic electronegativity, the distribution of electron clouds

Overall, the chemical structure of 4- [ (2-cyanogen-5-chlorobenzyl) benzonitrile] benzonitrile is complex, composed of multiple benzene rings, cyano groups, chlorine atoms and methylene and other structural units. Each part interacts to jointly determine the physical and chemical properties of the compound.

What are the physical properties of 4- [ (2-chloro-5-iodophenyl) methyl] phenol?

4 - [ (2-deuterium-5-chloropyridine) methyl] pyridine buzz has the following physical properties:

This substance is usually in solid form, in appearance, in a pure state or as a white to off-white crystalline powder, which makes it easy to identify and distinguish in appearance. In terms of solubility, it exhibits certain solubility properties in some common organic solvents. For example, in polar organic solvents such as methanol and ethanol, it has good solubility and can form a uniform solution system. This property is related to the polar groups contained in its molecular structure. Interactions such as hydrogen bonds can be formed between these polar groups and polar solvent molecules such as methanol and ethanol, thereby promoting their dissolution.

However, in non-polar organic solvents such as n-hexane and cyclohexane, its solubility is poor. This is because the interaction force between the molecules of the non-polar solvent and the molecules of the substance is weak, and it is difficult to overcome the interaction between the molecules of the substance and make it disperse and dissolve. As far as the melting point is concerned, after precise determination, its melting point is in a certain temperature range, which has important reference value for the identification of the substance and the application under specific conditions. The specific melting point value depends on the purity of the substance and the precise conditions at the time of determination. Through the determination and analysis of its melting point, the purity of the substance and the stability of the crystal structure can be further understood.

From the perspective of density, the substance has a specific density value, which reflects the mass distribution of its molecules in a unit volume. It is of great significance for the metrology, mixing and other operations involved in practical applications. It can help experimenters or production personnel to accurately quantify it. Its density is also closely related to its molecular structure, and factors such as the packing method between molecules and the type and number of atoms jointly determine its density characteristics.

What are the main uses of 4- [ (2-chloro-5-iodophenyl) methyl] phenol?

4- [ (2-deuterium-5-chlorobenzyl) benzonitrile] benzyl alcohol, which is a key compound in the field of organic synthesis. Its main uses are as follows:

First, as an intermediate for the synthesis of specific drugs. In the process of creating many drugs, 4- [ (2-deuterium-5-chlorobenzyl) benzonitrile] benzyl alcohol can act as an extremely important starting material or reaction intermediate. By performing a series of carefully designed chemical reactions on it, molecular structures with specific pharmacological activities can be constructed, thereby facilitating the development and production of new drugs. For example, in the synthesis of some anticancer drugs and antimicrobial drugs, it may participate in key steps, and gradually shape the molecular configuration that meets the needs of drug targets through chemical modification, laying the foundation for the effectiveness of drugs.

Second, used in the field of materials science. With the vigorous development of materials science, the demand for organic materials with special properties is increasing. 4 - [ (2-deuterium-5-chlorobenzyl) benzonitrile] benzyl alcohol With its unique chemical structure, it is possible to prepare new materials with specific optical, electrical or mechanical properties through polymerization or compounding with other materials. For example, in the development of organic optoelectronic materials, their structural properties may endow the materials with unique electron transport or luminescence properties, which can be used in organic Light Emitting Diodes (OLEDs), solar cells and other optoelectronic devices.

Third, as a model compound for organic synthetic chemistry research. Researchers can use the chemical reaction study of 4- [ (2-deuterium-5-chlorobenzyl) benzonitrile] benzyl alcohol to further explore the mechanism of organic reactions, the optimization of reaction conditions, and the development of new synthesis methods. Its rich functional groups provide the possibility for diverse chemical reactions, and through detailed analysis of its reaction behavior, it can provide valuable reference for the development of organic synthetic chemistry theory and promote organic synthesis technology to a higher level.

What are the synthesis methods of 4- [ (2-chloro-5-iodophenyl) methyl] phenol?

There are many methods for synthesizing 4- [ (2-cyanopyridine-5-bromo) methyl] pyridine, and the following are some common methods for you to describe in detail:

** Method 1: Nucleophilic Substitution Reaction with Halogenated Pyridine as Starter **

Take 2-chloro-5-bromo pyridine and methyl pyridine derivatives, add an appropriate amount of base, such as potassium carbonate, to a suitable solvent, such as N, N-dimethylformamide (DMF). At a suitable temperature, generally about 80-120 ° C, stir the reaction for several hours. This is because the halogen atom of halopyridine has high activity and is vulnerable to attack by nucleophilic reagents. The nucleophilic check point in the methyl pyridine derivative attacks the halogen atom of halopyridine, thereby forming a carbon-carbon bond to achieve the preliminary construction of the target product. After the reaction, the product is isolated and purified by extraction, column chromatography and other means.

** Method 2: Coupling reaction via palladium catalysis **

With 2-borate-5-bromopyridine and bromomethylpyridine as raw materials, under the action of palladium catalyst, such as tetra (triphenylphosphine) palladium (Pd (PPh)), with cesium carbonate as base, in a solvent such as toluene, reflux at about 100 ° C. The palladium-catalyzed coupling reaction has the characteristics of high efficiency and good selectivity, and can accurately construct carbon-carbon bonds. The boric acid group is coupled with the halogenate under palladium catalysis to form the desired 4- [ (2-cyano-5-bromopyridine) methyl] pyridine. After the reaction is completed, the pure product is obtained by filtration, distillation, recrystallization and other steps.

** Method 3: Reaction path starting from pyridine formaldehyde **

Reduce 2-cyano-5-bromopyridine formaldehyde to the corresponding alcohol first, and use a reducing agent such as sodium borohydride to react at low temperature in a solvent such as methanol. The obtained alcohol is then dehydrated and condensed with methyl pyridine under acid catalysis, such as p-toluenesulfonic acid, in toluene, and heated and refluxed for several hours. In this process, the hydroxyl group is converted into a leaving group, and then reacts with methylpyridine to form a carbon-carbon bond to obtain the target product. The product is purified by alkali washing, water washing, drying, distillation and other operations.

The above methods have advantages and disadvantages. In the actual synthesis, the optimal solution should be selected according to factors such as raw material availability, cost, yield and purity requirements.

What are the precautions for storing and transporting 4- [ (2-chloro-5-iodophenyl) methyl] phenol?

First, this object has specific chemical properties, and its properties may be sensitive to certain substances. Therefore, if it exists, it must be cleared, dry, and clear. It must not be combined with oxidized substances or acids in a room, so as not to cause an image, such as the reaction of the strong, and even cause combustion and explosion.

Furthermore, the control of the degree of severity is also difficult. It should be stored in an appropriate environment. If the temperature is high, it may cause it to decompose, collapse, and lose its inherent nature.

If the temperature is not high, or there are problems such as deliquescence, the product will be damaged.

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