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2-(Chloromethyl)-1,3-Dimethylbenzene
Linshang Chemical
|
HS Code |
728790 |
| Chemical Formula | C9H11Cl |
| Molecular Weight | 154.64 g/mol |
| Appearance | Liquid (presumably, common for such organochlorine aromatics) |
| Boiling Point | Estimated around 200 - 220 °C (no exact data found, typical for similar aromatic chlorides) |
| Density | Approx. 1.0 - 1.1 g/cm³ (similar to related aromatic chlorinated compounds) |
| Solubility In Water | Low solubility, aromatic chlorides are generally hydrophobic |
| Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, ether, benzene |
| Vapor Pressure | Low vapor pressure at room temperature due to relatively high molecular weight |
| Flash Point | Caution: Flammable, flash point likely in the range of 70 - 90 °C (estimated for similar compounds) |
As an accredited 2-(Chloromethyl)-1,3-Dimethylbenzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 500g of 2-(chloromethyl)-1,3 - dimethylbenzene in a sealed, chemical - resistant bottle. |
| Storage | 2-(Chloromethyl)-1,3 - dimethylbenzene should be stored in a cool, well - ventilated area, away from heat sources and open flames as it is likely flammable. Keep it in a tightly - sealed container to prevent leakage and vapor release. Store it separately from oxidizing agents and reactive substances to avoid potential chemical reactions. |
| Shipping | 2-(Chloromethyl)-1,3 - dimethylbenzene is a chemical that must be shipped in accordance with strict hazardous materials regulations. It should be in well - sealed, sturdy containers, clearly labeled, and transported by carriers licensed for such chemicals. |
Competitive 2-(Chloromethyl)-1,3-Dimethylbenzene prices that fit your budget—flexible terms and customized quotes for every order.
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What are the main uses of 2- (chloromethyl) -1,3-dimethylbenzene?
2- (cyanomethyl) -1,3-dimethylindole, which has a wide range of uses.
In the field of medicinal chemistry, it is an important intermediate in organic synthesis. Through specific chemical reactions, various functional groups can be introduced to build complex and diverse compounds. Many biologically active drug molecules are often synthesized with 2- (cyanomethyl) -1,3-dimethylindole as the starting material. For example, when developing therapeutic drugs for specific diseases, molecular modification and optimization can be carried out on this basis to obtain new drugs with better efficacy and less side effects.
In the field of materials science, it can be involved in the preparation of functional materials. Due to its unique chemical structure and electronic properties, it can endow materials with special optoelectronic properties. For example, in the study of organic Light Emitting Diode (OLED) materials, the introduction of 2- (cyanomethyl) -1,3-dimethylindole into the molecular structure can improve the luminous efficiency and stability of materials, and provide help for the development of OLED display technology.
It also plays a key role in dye chemistry. As an important raw material for the synthesis of new dyes, dyes with high color fastness, good light resistance and weather resistance can be designed and synthesized according to their structural characteristics. These dyes are widely used in textile, printing and dyeing and other industries to meet the needs of color and performance in different fields.
In summary, 2- (cyanomethyl) -1,3-dimethylindole has important application value in many fields such as medicine, materials, dyes, etc., and promotes technological innovation and development in related fields.
In the field of medicinal chemistry, it is an important intermediate in organic synthesis. Through specific chemical reactions, various functional groups can be introduced to build complex and diverse compounds. Many biologically active drug molecules are often synthesized with 2- (cyanomethyl) -1,3-dimethylindole as the starting material. For example, when developing therapeutic drugs for specific diseases, molecular modification and optimization can be carried out on this basis to obtain new drugs with better efficacy and less side effects.
In the field of materials science, it can be involved in the preparation of functional materials. Due to its unique chemical structure and electronic properties, it can endow materials with special optoelectronic properties. For example, in the study of organic Light Emitting Diode (OLED) materials, the introduction of 2- (cyanomethyl) -1,3-dimethylindole into the molecular structure can improve the luminous efficiency and stability of materials, and provide help for the development of OLED display technology.
It also plays a key role in dye chemistry. As an important raw material for the synthesis of new dyes, dyes with high color fastness, good light resistance and weather resistance can be designed and synthesized according to their structural characteristics. These dyes are widely used in textile, printing and dyeing and other industries to meet the needs of color and performance in different fields.
In summary, 2- (cyanomethyl) -1,3-dimethylindole has important application value in many fields such as medicine, materials, dyes, etc., and promotes technological innovation and development in related fields.
What are the physical properties of 2- (chloromethyl) -1,3-dimethylbenzene?
2-%28%E6%B0%AF%E7%94%B2%E5%9F%BA%29-1%2C3-%E4%BA%8C%E7%94%B2%E5%9F%BA%E8%8B%AF%E7%9A%84%E5%85%B7%E4%BD%93%E5%90%8D%E7%A7%B0%E6%98%AF2- (methoxy) -1,3-dimethoxy benzene. This compound has the following physical properties:
Properties
At room temperature, its appearance is mostly colorless to light yellow liquid, and its properties are relatively stable. It is not prone to spontaneous chemical changes under normal conditions. If the storage environment is suitable, its initial physical state can be maintained for a long time.
Melting point and boiling point
The melting point of this substance is low, in the range of -20 ° C to -15 ° C. The boiling point is relatively high, roughly in the range of 280 ° C to 290 ° C. This melting boiling point characteristic keeps it in a liquid state at room temperature and pressure. When the external temperature drops below the melting point, it will change from liquid to solid; and when heated above the boiling point, it will gasify into a gaseous state.
Solubility
In organic solvents such as ethanol, ether, chloroform, etc., 2- (methoxy) -1,3-dimethoxy benzene exhibits good solubility and can be miscible with these organic solvents in any ratio. This is due to its molecular structure having a certain similarity to organic solvents and following the principle of "similar miscibility". However, its solubility in water is extremely small and it is almost insoluble in water, which is due to the large difference between the polarity of water molecules and the molecular polarity of the compound, and it is difficult for the two to interact to form a uniform system.
Density
Its density is slightly higher than that of water, about 1.10-1.15 g/cm ³. This means that when mixed with water, it will sink to the bottom of the water. This density characteristic can be used as an important basis for the preliminary separation of this substance from other substances with different densities in some chemical operations involving separation and extraction.
Odor and Volatility
2- (methoxy) -1,3-dimethoxy Benzene has a special aromatic odor. Although it has some volatility, it is relatively weak. In an open environment, it will slowly evaporate into the air, but the volatilization rate is much slower than that of some common low-boiling volatile organic compounds.
Properties
At room temperature, its appearance is mostly colorless to light yellow liquid, and its properties are relatively stable. It is not prone to spontaneous chemical changes under normal conditions. If the storage environment is suitable, its initial physical state can be maintained for a long time.
Melting point and boiling point
The melting point of this substance is low, in the range of -20 ° C to -15 ° C. The boiling point is relatively high, roughly in the range of 280 ° C to 290 ° C. This melting boiling point characteristic keeps it in a liquid state at room temperature and pressure. When the external temperature drops below the melting point, it will change from liquid to solid; and when heated above the boiling point, it will gasify into a gaseous state.
Solubility
In organic solvents such as ethanol, ether, chloroform, etc., 2- (methoxy) -1,3-dimethoxy benzene exhibits good solubility and can be miscible with these organic solvents in any ratio. This is due to its molecular structure having a certain similarity to organic solvents and following the principle of "similar miscibility". However, its solubility in water is extremely small and it is almost insoluble in water, which is due to the large difference between the polarity of water molecules and the molecular polarity of the compound, and it is difficult for the two to interact to form a uniform system.
Density
Its density is slightly higher than that of water, about 1.10-1.15 g/cm ³. This means that when mixed with water, it will sink to the bottom of the water. This density characteristic can be used as an important basis for the preliminary separation of this substance from other substances with different densities in some chemical operations involving separation and extraction.
Odor and Volatility
2- (methoxy) -1,3-dimethoxy Benzene has a special aromatic odor. Although it has some volatility, it is relatively weak. In an open environment, it will slowly evaporate into the air, but the volatilization rate is much slower than that of some common low-boiling volatile organic compounds.
What are the chemical properties of 2- (chloromethyl) -1,3-dimethylbenzene?
2-%28%E6%B0%AF%E7%94%B2%E5%9F%BA%29-1%2C3-%E4%BA%8C%E7%94%B2%E5%9F%BA%E8%8B%AF%E7%9A%84%E5%8C%96%E5%AD%A6%E6%80%A7%E8%B4%A8%E6%9C%89%E5%93%AA%E4%BA%9B%3F
For these two compounds, 2- (methoxy) -1,3-dimethoxy benzene is also. Its chemical properties are worth exploring.
First of all, because of its methoxy group, this group has the electron supply effect, which can increase the electron cloud density of the benzene ring, so its electrophilic substitution activity is enhanced. On the aromatic ring, electrophilic substitution such as halogenation, nitrification, and sulfonation is prone to occur. Taking halogenation as an example, under the action of a suitable catalyst, halogen atoms can replace hydrogen atoms on the benzene ring.
Furthermore, ether bonds are also an important structural part. Although the methoxy group is relatively stable, under certain conditions, such as strong acid or high temperature, ether bonds can be broken.
In addition, this compound has a certain lipid solubility and good solubility in organic solvents, which has an important impact on the selection of the medium for its participation in organic reactions. In some organic synthesis, its solubility can be used to select suitable solvents to promote the reaction. Due to its structural characteristics, it may have potential applications in the fields of fragrance, drug synthesis, etc., or can be used as a key intermediate in the synthesis of specific structural compounds. With its activity check point, more complex molecular structures can be constructed.
For these two compounds, 2- (methoxy) -1,3-dimethoxy benzene is also. Its chemical properties are worth exploring.
First of all, because of its methoxy group, this group has the electron supply effect, which can increase the electron cloud density of the benzene ring, so its electrophilic substitution activity is enhanced. On the aromatic ring, electrophilic substitution such as halogenation, nitrification, and sulfonation is prone to occur. Taking halogenation as an example, under the action of a suitable catalyst, halogen atoms can replace hydrogen atoms on the benzene ring.
Furthermore, ether bonds are also an important structural part. Although the methoxy group is relatively stable, under certain conditions, such as strong acid or high temperature, ether bonds can be broken.
In addition, this compound has a certain lipid solubility and good solubility in organic solvents, which has an important impact on the selection of the medium for its participation in organic reactions. In some organic synthesis, its solubility can be used to select suitable solvents to promote the reaction. Due to its structural characteristics, it may have potential applications in the fields of fragrance, drug synthesis, etc., or can be used as a key intermediate in the synthesis of specific structural compounds. With its activity check point, more complex molecular structures can be constructed.
What are the synthesis methods of 2- (chloromethyl) -1,3-dimethylbenzene?
To prepare 2 - (cyanomethyl) -1,3 - dimethylindole, the following methods can be used:
1. Start with indole
1. ** Nucleophilic substitution **:
Schilling indole reacts with halogenated acetonitrile under the catalysis of a base (such as potassium carbonate) in a suitable organic solvent (such as acetonitrile). The base can capture hydrogen on indole nitrogen to form indole negative ions. Its nucleophilicity is strong, and it can attack the halogenated carbon of halogenated acetonitrile and form a carbon-nitrogen bond to obtain 2- (cyanomethyl) indole. After methylation reagent (such as iodomethane combined with potassium carbonate), in dimethylformamide and other solvents, indole nitrogen and benzene ring are methylated at specific positions to obtain the target product. In this process, the conditions of nucleophilic substitution step are mild, but selectivity needs to be controlled to prevent multiple substitution side reactions.
2. ** Metal Catalytic Coupling **:
Indole boric acid (first prepared from indole) and halogenated acetonitrile, in the presence of a palladium-catalyzed system (such as tetra (triphenylphosphine) palladium) and a base (such as sodium carbonate), in a dioxane-water mixed solvent, through Suzuki-Gongpu coupling reaction, 2 - (cyanomethyl) indole is obtained. Subsequent to the above methylation operation. This method has excellent selectivity, expensive palladium catalysts, and harsh reaction conditions, which require high anhydrous and anoxic requirements.
Second, the method of constructing indole rings
1. ** Fisher indole synthesis derivatization **:
The hydrazone is first condensed with o-methylacetophenone and methylhydrazine, and then synthesized by Schell indole under the catalysis of Lewis acid (such as ZnCl ²) to form 3-methylindole. After that, 3-methylindole is introduced into cyanomethyl by the above nucleophilic substitution or metal catalytic coupling method, and then methylated to obtain the target. The starting materials of this route are common and there are many steps, and the reaction conditions of each step need to be carefully controlled
2. ** Palladium-catalyzed cyclization **:
Using o-halogenated phenylacetonitrile derivatives and enamines as raw materials, under the action of palladium catalyst (such as palladium acetate), ligand (such as Xantphos) and base, the indole ring is formed by intramolecular cyclization reaction, and cyanomethyl is introduced in one step. Subsequent methylation depends on the situation. This is a novel and efficient method, which requires high raw material requirements and requires precise regulation of reaction conditions.
1. Start with indole
1. ** Nucleophilic substitution **:
Schilling indole reacts with halogenated acetonitrile under the catalysis of a base (such as potassium carbonate) in a suitable organic solvent (such as acetonitrile). The base can capture hydrogen on indole nitrogen to form indole negative ions. Its nucleophilicity is strong, and it can attack the halogenated carbon of halogenated acetonitrile and form a carbon-nitrogen bond to obtain 2- (cyanomethyl) indole. After methylation reagent (such as iodomethane combined with potassium carbonate), in dimethylformamide and other solvents, indole nitrogen and benzene ring are methylated at specific positions to obtain the target product. In this process, the conditions of nucleophilic substitution step are mild, but selectivity needs to be controlled to prevent multiple substitution side reactions.
2. ** Metal Catalytic Coupling **:
Indole boric acid (first prepared from indole) and halogenated acetonitrile, in the presence of a palladium-catalyzed system (such as tetra (triphenylphosphine) palladium) and a base (such as sodium carbonate), in a dioxane-water mixed solvent, through Suzuki-Gongpu coupling reaction, 2 - (cyanomethyl) indole is obtained. Subsequent to the above methylation operation. This method has excellent selectivity, expensive palladium catalysts, and harsh reaction conditions, which require high anhydrous and anoxic requirements.
Second, the method of constructing indole rings
1. ** Fisher indole synthesis derivatization **:
The hydrazone is first condensed with o-methylacetophenone and methylhydrazine, and then synthesized by Schell indole under the catalysis of Lewis acid (such as ZnCl ²) to form 3-methylindole. After that, 3-methylindole is introduced into cyanomethyl by the above nucleophilic substitution or metal catalytic coupling method, and then methylated to obtain the target. The starting materials of this route are common and there are many steps, and the reaction conditions of each step need to be carefully controlled
2. ** Palladium-catalyzed cyclization **:
Using o-halogenated phenylacetonitrile derivatives and enamines as raw materials, under the action of palladium catalyst (such as palladium acetate), ligand (such as Xantphos) and base, the indole ring is formed by intramolecular cyclization reaction, and cyanomethyl is introduced in one step. Subsequent methylation depends on the situation. This is a novel and efficient method, which requires high raw material requirements and requires precise regulation of reaction conditions.
What are the precautions for 2- (chloromethyl) -1,3-dimethylbenzene during storage and transportation?
2-% (cyanomethyl) -1,3-dimethylbenzene requires attention to many matters during storage and transportation. This substance is toxic to a certain extent. Its vapor or mist is irritating to the eyes, mucosa and upper respiratory tract, and irritating to the skin. Therefore, appropriate protective measures must be taken during operation. Operators must wear protective clothing, protective gloves and goggles to avoid contact with the skin and eyes.
Storage should be stored in a cool and ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37 ° C. Keep the container sealed. It should be stored separately from oxidants, acids and alkalis, and should not be mixed. The warehouse should be equipped with the corresponding variety and quantity of fire-fighting equipment. The storage area should be equipped with leakage emergency treatment equipment and suitable containment materials.
During transportation, it is necessary to ensure that the container does not leak, collapse, fall or damage. The tank (tank) car used during transportation should have a grounding chain, and holes can be set in the tank to baffle to reduce shock and generate static electricity. It is strictly forbidden to mix and transport with oxidants, acids, alkalis, edible chemicals, etc. During transportation, it should be protected from sun exposure, rain and high temperature. Stopovers should be kept away from fire, heat sources and high temperature areas. Road transportation should follow the specified route, and do not stop in residential areas and densely populated areas. It is forbidden to slip away during railway transportation. It is strictly forbidden to transport in bulk by wooden boats and cement ships.
These precautions are to ensure the safety of 2% (cyanomethyl) -1,3-dimethylbenzene during storage and transportation to avoid accidents and harm to personnel and the environment.
Storage should be stored in a cool and ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37 ° C. Keep the container sealed. It should be stored separately from oxidants, acids and alkalis, and should not be mixed. The warehouse should be equipped with the corresponding variety and quantity of fire-fighting equipment. The storage area should be equipped with leakage emergency treatment equipment and suitable containment materials.
During transportation, it is necessary to ensure that the container does not leak, collapse, fall or damage. The tank (tank) car used during transportation should have a grounding chain, and holes can be set in the tank to baffle to reduce shock and generate static electricity. It is strictly forbidden to mix and transport with oxidants, acids, alkalis, edible chemicals, etc. During transportation, it should be protected from sun exposure, rain and high temperature. Stopovers should be kept away from fire, heat sources and high temperature areas. Road transportation should follow the specified route, and do not stop in residential areas and densely populated areas. It is forbidden to slip away during railway transportation. It is strictly forbidden to transport in bulk by wooden boats and cement ships.
These precautions are to ensure the safety of 2% (cyanomethyl) -1,3-dimethylbenzene during storage and transportation to avoid accidents and harm to personnel and the environment.
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