4 Acetylbenzotrifluoride
Fluoride
4-Acetylbenzotrifluoride
Chemical Formula C9H7F3O
Molar Mass 188.146 g/mol
Appearance Colorless to light yellow liquid
Boiling Point 210 - 212 °C
Density 1.265 g/cm³
Flash Point 87 °C
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents like ethanol, ether
Vapor Pressure Low vapor pressure
FAQ

What are the main uses of 4-Acetylbenzotrifluoride?

4-Acetyltrifluorotoluene is an important chemical raw material in the field of organic synthesis. Its uses are extensive and can be described as follows:
First, it plays a significant role in pharmaceutical synthesis. Due to its unique chemical structure, it can be used as a key intermediate to create many drugs with specific curative effects. For example, when developing targeted therapeutic drugs for specific diseases, 4-acetyltrifluorotoluene can be introduced into drug molecules through a series of chemical reactions, giving the drug better biological activity and pharmacological properties, such as enhancing the affinity and targeting of the drug to diseased cells, thereby improving the therapeutic effect and reducing damage to normal cells.
Second, it also has important applications in the field of pesticides. With its chemical properties, it can be used to synthesize new types of pesticides. Such pesticides may have high insecticidal and bactericidal properties, while having a relatively small impact on the environment. After clever design and synthesis, 4-acetyltrifluorotoluene participates in the synthesis of pesticides that can precisely act on the specific physiological processes of pests, inhibit their growth and reproduction, and achieve good crop protection effects.
Third, in the field of materials science, 4-acetyltrifluorotoluene also plays an important role. It can be used to prepare polymer materials with special properties, such as fluoropolymers. These materials often have excellent thermal stability, chemical stability and weather resistance. Applying it to coatings, plastics and other materials can significantly improve the quality and performance of materials, such as making coatings more wear-resistant and corrosion-resistant, plastics can better adapt to harsh environments, and prolong the service life of materials.
Fourth, in the study of organic synthetic chemistry, 4-acetyltrifluorotoluene is often used as an important starting material or intermediate for researchers to explore new reaction paths and synthesis methods. By performing various functional group transformations and reactions on it, strategies and means of organic synthesis can be expanded, and new ideas and methods can be provided for the development of organic chemistry.

What are the physical properties of 4-Acetylbenzotrifluoride?

4-Acetyltrifluorotoluene is one of the organic compounds. Its unique physical properties have attracted much attention in the fields of scientific research and industry.

Under normal temperature and pressure, this compound usually takes on a colorless to light yellow liquid form, with a clear and transparent appearance. Looking at its color, it often varies with purity and impurity content, but the ideal pure product is nearly colorless. Its odor is unique and volatile, and its special smell can be detected in the air.

The boiling point of 4-acetyltrifluorotoluene is within a specific range, which makes it possible to achieve it by means of distillation during the separation and purification process. The value of the boiling point fluctuates according to the specific experimental conditions and measurement methods, but it is roughly within a certain range. Its melting point is also a key physical parameter, reflecting the temperature limit of the solid-liquid transition of a substance.

The density of this compound, compared with common organic solvents, also has a specific value. This density characteristic has a significant impact on many chemical operations, such as mixing, delamination, etc. The density factor needs to be considered. Its solubility is also very important. It shows good solubility in some organic solvents, but poor solubility in water. This characteristic determines its application scenarios in different solvent systems.

In addition, the vapor pressure of 4-acetyltrifluorotoluene cannot be ignored. The magnitude of vapor pressure is related to the degree of volatilization, which puts forward corresponding requirements for working environment and storage conditions. Its refractive index is also a parameter characterizing its optical properties and plays a role in the analysis and identification process.

The above physical properties together constitute the characteristic framework of 4-acetyltrifluorotoluene, laying the foundation for its application in organic synthesis, materials science and other fields.

What are the chemical properties of 4-Acetylbenzotrifluoride?

4-Acetyl trifluorotoluene is an important compound in the field of organic chemistry. It has unique chemical properties and plays a key role in many chemical reactions and industrial applications.

In this compound, acetyl and trifluoromethyl are connected to the benzene ring. Acetyl groups have certain nucleophilic and reactive properties and can participate in a variety of nucleophilic substitution reactions. For example, its carbonyl groups can react with nucleophilic reagents such as alcohols and amines to form new chemical bonds and construct more complex organic structures. The presence of

trifluoromethyl gives the compound special properties. Trifluoromethyl has strong electron absorption, which significantly affects the electron cloud density of the benzene ring and reduces the electron cloud density of the benzene ring. In this way, the electrophilic substitution reactivity on the benzene ring is changed, which is different from the electrophilic substitution reactivity of the traditional benzene ring. Usually, electrophilic reagents tend to attack positions with relatively high electron cloud density, while the electron-absorbing action of trifluoromethyl will reduce the electron cloud density of the benzene ring ortho and para-position more than the meta-position, so the electrophilic substitution reaction is more likely to occur in the meta-position.

In addition, the strong electronegativity and unique spatial structure of trifluoromethyl make the compound have good thermal and chemical stability. This property makes it stable at high temperatures or in specific chemical environments, and it is not easy to decompose or undergo side reactions. At the same time, the introduction of trifluoromethyl also affects the physical properties of the compound such as melting point, boiling point, solubility, etc. It can generally increase the fat solubility of compounds, and in the field of medicinal chemistry, it helps drug molecules to penetrate biofilms and improve bioavailability.

Furthermore, the chemical properties of 4-acetyl trifluorotoluene make it an important intermediate in organic synthesis. By modifying the reaction check point between acetyl and benzene rings, a series of organic compounds with different functions and structures can be synthesized, which are widely used in medicine, pesticides, materials science and other fields.

What are 4-Acetylbenzotrifluoride synthesis methods?

There are several methods for synthesizing 4-acetyltrifluorotoluene as follows.

First, trifluorotoluene is used as the starting material. Schilling trifluorotoluene and acetyl chloride undergo Fu-gram acylation reaction under the action of Lewis acid catalyst such as anhydrous aluminum trichloride. This reaction needs to be carried out in a low temperature and anhydrous environment to prevent the catalyst from failing. The reaction mechanism is that acetyl chloride forms an acyl positive ion under the action of Lewis acid, which then attacks the benzene ring of trifluorotoluene and replaces the hydrogen atom on the benzene ring to generate 4-acetyltrifluorotoluene. The raw materials for this method are relatively easy to obtain, but the reaction conditions are relatively harsh, and the Lewis acid catalyst is corrosive, so subsequent treatment needs to be cautious.

Second, starting from 4-methyltrifluorotoluene. First, 4-methyltrifluorotoluene is oxidized. Strong oxidants such as potassium permanganate and potassium dichromate can be used. Under suitable solvents and reaction conditions, methyl is oxidized to carboxyl groups to obtain 4-carboxyltrifluorotoluene. Subsequently, the carboxyl groups are reduced, and reducing agents such as lithium aluminum hydride can be used to reduce the carboxyl groups to aldehyde groups. After oxidation, the aldehyde group is oxidized to acetyl groups using Jones reagents, etc., to obtain 4-acetyltrifluorotoluene. This route has a little more steps, but the selectivity of each step is relatively good. However, the use of redox reagents requires strict control of the reaction conditions to ensure that the reaction proceeds smoothly and avoids excessive oxidation or reduction.

Third, trifluoroacetyl chloride and benzene are used as raw materials. Also in the presence of Lewis acid catalyst, the Fu-gram acylation reaction occurs to generate 4-trifluoroacetylbenzene. After that, the acetyl ortho-position on the benzene ring is fluorinated by specific fluorination reagents, such as Selectfluor, etc., and the final result is 4-acetyl trifluorotoluene. This method can better introduce trifluoromethyl, but the cost of the fluorination step is high, and the fluorination reagent is dangerous, so special care is required during operation.

What is the price range of 4-Acetylbenzotrifluoride in the market?

4-Acetyltrifluorotoluene, the market price, often varies depending on the purity of the product, supply and demand conditions. Looking at the past, its price range is quite wide. If the purity is high and the supply is less and the demand is more, the price will rise; if the purity is slightly lower and the supply is sufficient and the demand is flat, the price will be flat.

In the past, in the chemical industry market, the price of its pure superiority may reach hundreds of gold per kilogram. However, there are also pure inferior products, the price may be slightly reduced, or up to 100 gold per kilogram. And the change of the market is impermanent, sometimes due to the price of raw materials, sometimes due to the progress of government regulations and technology.

And, in different places, the price also varies. In a place where the chemical industry gathers, the supply is large and the transportation is convenient, and the price may be more suitable; in a remote place, the transportation is difficult and the supply is small, and the price will increase.

Therefore, if you want to know the exact price, you should carefully observe the current market conditions and consult various merchants before you can get the actual price. The approximate price, per kilogram or between a hundred gold and a few hundred gold, is only an idea, not an exact number.