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What are the main uses of 3-Acetylbenzotrifluoride?
3-Acetyltrifluorotoluene, a crucial compound in the field of organic synthesis, has a wide range of uses.
First, in the field of medicinal chemistry, it is often used as a key intermediate. The unique properties of trifluoromethyl, such as strong electron absorption and high lipophilicity, can significantly change the physicochemical properties and biological activities of compounds. With 3-acetyltrifluorotoluene, chemists can construct many molecular structures with potential medicinal value, and then develop new drugs. For example, in the synthesis of some antidepressants and cardiovascular diseases, 3-acetyl trifluorotoluene can be used as a starting material to gradually build a drug molecular skeleton with specific activities through a series of delicate chemical reactions.
Second, in the field of materials science, it has also shown extraordinary uses. Due to the particularity of its structure, it can be used to prepare polymer materials with excellent performance. For example, introducing it into the polymer backbone or side chain can improve the thermal stability, chemical stability and weather resistance of the polymer. These improved polymer materials can be widely used in aerospace, automotive manufacturing, electronics and many other high-end fields. In the aerospace field, it can be used to manufacture parts of aircraft to meet their strict requirements for high performance materials; in the field of electronics and electrical appliances, it can be used to manufacture electronic component packaging materials with good insulation properties and chemical corrosion resistance.
Third, in the field of dye chemistry, 3-acetyltrifluorotoluene also plays an indispensable role. It can be used as an important raw material for the synthesis of new dyes, giving dyes unique colors and properties. The synthesized dyes are not only bright in color, but also have good light resistance and washable properties. They can be widely used in textile printing and dyeing, ink manufacturing and other industries, greatly enriching the types and application range of dyes.
What are the physical properties of 3-Acetylbenzotrifluoride?
3-Acetyltrifluorotoluene, this is an organic compound. Its physical properties are quite characteristic, let me tell you one by one.
Let me talk about the appearance first. At room temperature, 3-acetyltrifluorotoluene is often colorless to light yellow liquid. It looks clear and transparent, like a clear spring, without suspended impurities or precipitation. Although its color is not eye-catching, it shows a unique state in the details.
Besides the smell, the smell has a special aromatic smell. Although it is not as rich and sweet as the fragrance of flowers, it also has a different charm. It is not a pungent and unpleasant smell, but an acceptable organic aroma. It gently diffuses in the air and inadvertently enters the nose.
When it comes to the melting point, it is about -20 ° C. At this temperature, this substance gradually turns from liquid to solid, and the movement between molecules slows down due to cold, and the arrangement tends to be regular. Once the temperature rises above the melting point, it turns into a flexible liquid and reproduces its fluidity. The boiling point of
is about 220 ° C - 222 ° C. When the temperature rises to the boiling point, the 3-acetyl trifluorotoluene molecules gain enough energy to break free from each other's shackles, and violently transform from liquid to gaseous state. A large number of bubbles are generated and escape inside the liquid. The scene is quite spectacular.
In terms of density, it is about 1.28 g/cm ³, which is slightly denser than water. If it is placed in the same container as water, this substance will sink to the bottom of the water, and the two are distinct.
Solubility is also an important property. 3-Acetyltrifluorotoluene is insoluble in water, and the polarity of water and the non-polar structure of the compound make it difficult for the two to blend. It is like two parallel lines and is independent of each other. However, it exhibits good solubility in organic solvents. Organic solvents such as ethanol, ethyl ether, and dichloromethane can be closely mixed with it to form a uniform solution, just like old friends get together and harmoniously.
The physical properties of this compound are of great significance in many fields such as organic synthesis. It is an important "weapon" in the hands of chemists and plays a unique role in the chemical world.
What is the chemistry of 3-Acetylbenzotrifluoride?
3-Acetyl benzotrifluoride is one of the organic compounds. Its chemical properties are unique and it shows important properties in many chemical reactions and industrial applications.
This compound contains acetyl and benzotrifluoromethyl groups, which give it special chemical activity. The presence of acetyl groups gives the substance a certain nucleophilic reactivity. In nucleophilic substitution reactions, the carbonyl carbon of the acetyl group is an electrophilic center and is vulnerable to attack by nucleophilic reagents, which can react with nucleophilic reagents such as alcohols and amines to form corresponding esters or amides.
Benzotrifluoromethyl significantly affects its physical and chemical properties. The strong electron-absorbing property of trifluoromethyl alters the distribution of molecular electron clouds and enhances the stability and chemical inertness of compounds. This property makes 3-acetylbenzo-trifluoride used in some occasions that need to resist chemical reactions or environmental erosion.
In the aromatic electrophilic substitution reaction, due to the localization effect of the substituent on the benzene ring, the acetyl group belongs to the ortho-and para-site localization group, and the trifluoromethyl group belongs to the meta-site localization group. Under the combined influence, the position of the electrophilic reagent attacking the benzene ring shows a specific selectivity, mainly the tendency of the meta-site substitution reaction is more significant.
In redox reactions, 3-acetylbenzo trifluoride also exhibits corresponding characteristics due to the functional groups it contains. The carbonyl group of the acetyl group can be reduced, and if a specific reducing agent is used, it can be reduced to an alcohol hydroxyl group. At the same time, in view of the stability of benzotrifluoromethyl, this part is difficult to change under normal redox conditions.
In addition, the solubility of the compound is also affected by its structure. Due to the hydrophobicity of benzotrifluoromethyl, 3-acetyl benzotrifluoride has limited solubility in polar solvents, but it has better solubility in non-polar or weakly polar organic solvents, such as dichloromethane and toluene. This property is of great significance in its separation, purification and solvent selection.
What are the preparation methods of 3-Acetylbenzotrifluoride?
The common methods for preparing 3-acetyltrifluorotoluene are as follows.
First, trifluorotoluene is used as the starting material. The target product can be obtained by acetylation of trifluorotoluene. This reaction usually needs to be carried out in the presence of suitable catalysts, such as Lewis acid catalysts, such as anhydrous aluminum trichloride. Under suitable reaction conditions, trifluorotoluene interacts with acetylating reagents, such as acetyl chloride or acetic anhydride. Taking acetyl chloride as an example, in a reaction vessel equipped with a stirrer, thermometer and reflux condenser, first add trifluorotoluene and an appropriate amount of anhydrous aluminum trichloride, stir well and cool to a certain temperature, then slowly add acetyl chloride dropwise. After the dropwise addition is completed, the temperature is raised to a suitable temperature and maintained for a certain period of time, so that the reaction can be fully carried out. After the reaction is completed, 3-acetyltrifluorotoluene can be obtained through hydrolysis, extraction, distillation and other post-processing steps. The raw materials of this method are relatively easy to obtain, the reaction conditions are relatively mild, and the reaction path is direct, so it is widely used.
Second, start from 3-methyltrifluorotoluene. First, 3-methyltrifluorotoluene is oxidized, and a suitable oxidant can be selected, such as a mixed system of potassium dichromate and sulfuric acid, etc., the methyl is oxidized to a carboxyl group to obtain 3-trifluoromethylbenzoic acid. Subsequently, the benzoic acid is converted into 3-acetyltrifluorotolu 3-Trifluoromethylbenzoic acid can be reacted with thionyl chloride to obtain 3-trifluoromethylbenzoyl chloride, and then the benzoyl chloride can be reacted with acetic acid under certain conditions. After a series of separation and purification operations, the target product can be obtained. Although there are a few more steps in this way, the source of raw materials is also wide, and the yield of each step is acceptable. It also has certain value in industrial preparation.
Third, the strategy of combining halogenation with Fu-g reaction. First, trifluorotoluene is halogenated under suitable conditions, and halogen atoms, such as bromine atoms, are introduced to obtain m-halogenated trifluorotoluene. Then, under the action of metal catalyst and ligand, m-halogenated trifluorotoluene and acetylation reagent are reacted by Foucault to achieve the introduction of acetyl groups, and finally obtain 3-acetyltrifluorotoluene. This method requires stricter reaction conditions and catalysts, but it can achieve precise control of the product structure, which has unique advantages in specific applications.
What are the precautions in storage and transportation of 3-Acetylbenzotrifluoride?
3-Acetylbenzo trifluoride is an organic chemical substance. When storing and transporting, the following things must be paid attention to:
One is the storage environment. This substance should be placed in a cool, dry and well-ventilated place. Cover because of its high temperature and humid environment, it may cause chemical reactions and cause it to deteriorate. For example, high temperature or cause its volatilization to accelerate, not only the material is lost, but also the volatile gas may be dangerous; and the humid environment may cause the substance to absorb moisture, which affects its purity and stability. Furthermore, the storage place should be kept away from fire and heat sources. Because it is flammable, it is easy to cause combustion and explosion in case of open flames and hot topics, which endangers storage safety.
The second is related to packaging. Packaging must be tight to prevent leakage. Generally speaking, suitable packaging materials, such as corrosion-resistant containers, should be used. If the packaging material is improper, or due to the reaction with 3-acetyl benzo trifluoride, the packaging will be damaged and the material will leak. Once it leaks, it will not only pollute the environment, but also pose a threat to the health of the surrounding people.
The third is transportation safety. During transportation, make sure that the container does not leak, collapse, fall or damage. When handling, it should be handled lightly, and it must not be operated brutally to avoid damage to the packaging. Transportation vehicles should also be equipped with corresponding fire fighting equipment and leakage emergency treatment equipment, just in case. If an accident occurs during transportation, it can be responded to in time to reduce the harm.
The fourth is classified storage and transportation. This substance cannot be mixed with oxidants, acids, alkalis, etc. Because of its active chemical properties, contact with these substances may cause violent chemical reactions or even explosions. It must be classified and properly handled according to its chemical properties.
In short, in the storage and transportation of 3-acetylbenzo trifluoride, every detail is related to safety and quality. It must not be negligent. It must be strictly followed by relevant norms and requirements.