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What are the main uses of 1-Cyano-4- (Trifluoromethoxy) Benzene?
1-Cyano-4- (trifluoromethoxy) benzene, this is an organic compound. It has a wide range of uses and is often used as a key intermediate in the field of organic synthesis.
First, in the field of medicinal chemistry, through multi-step reactions, it can be used to construct structural units with specific biological activities. Due to the unique electronic and spatial effects of trifluoromethoxy and cyano groups, it can significantly change the physicochemical properties and biological activities of molecules. For example, when synthesizing some antiviral and anti-tumor drugs, this is the starting material, and the lead compound of the expected activity can be obtained by modifying the side chain and introducing other functional groups.
Second, in the field of materials science, it can be used to prepare functional materials. For example, in the field of optoelectronic materials, through rational design, the compound is introduced into the polymer structure. Due to the strong electron absorption of trifluoromethoxy, the electronic transport properties and optical properties of the material can be adjusted, and then the luminous efficiency and stability of the material can be improved to meet the needs of organic Light Emitting Diode (OLED) devices.
Third, in the field of pesticide chemistry, new pesticides can be created based on 1-cyano-4- (trifluoromethoxy) benzene. Its special structure helps to enhance the affinity and activity of pesticides to target organisms, and with the stability of trifluoromethoxy, pesticides can have a long shelf life, providing a powerful means for agricultural pest control.
In short, 1-cyano-4- (trifluoromethoxy) benzene has important applications in many fields, providing an indispensable basic raw material for the development of related industries.
What are the physical properties of 1-Cyano-4- (Trifluoromethoxy) Benzene?
1-Cyano-4- (trifluoromethoxy) benzene, this is an organic compound. Its physical properties are particularly important and are related to many practical applications.
Looking at its appearance, it is mostly colorless to light yellow liquid at room temperature and pressure. This color and shape can be intuitively identified by the naked eye. And it has a specific smell, but this smell is difficult to describe accurately in words, and it needs to be smelled by the naked eye to understand.
The melting point has been determined by many experiments to be between -20 ° C and -10 ° C. The melting point is of great significance. Below this temperature, the compound will change from liquid to solid state, which has a significant impact on the storage and transportation of substances.
In terms of boiling point, it is about 200 ° C to 210 ° C. At this temperature, the compound changes from liquid to gaseous state. The boiling point is directly related to its stability during heating and the feasibility of separation operations such as distillation.
Density is also one of the key physical properties, about 1.35 - 1.40 g/cm ³. This value indicates that it is denser than water, and the density plays a decisive role in involving mixed systems or stratification phenomena.
Solubility cannot be ignored either. In organic solvents, such as common ethanol, ether, dichloromethane, etc., the compound exhibits good solubility and can be miscible with it. However, in water, its solubility is poor and almost insoluble. This solubility characteristic is of great significance in the extraction, separation and other steps of organic synthesis.
Furthermore, its vapor pressure is low, and its volatilization rate is relatively slow at room temperature. This property is important for the safety of the compound when used in an open environment and its stability under specific environments.
In summary, the physical properties of 1-cyano-4 - (trifluoromethoxy) benzene are diverse and critical, which plays a fundamental supporting role in its application and research in many fields such as chemical industry and materials.
Is 1-Cyano-4- (Trifluoromethoxy) Benzene Chemically Stable?
The chemical stability of 1-cyano-4- (trifluoromethoxy) benzene depends on multiple factors. Among this compound, cyano (-CN) and trifluoromethoxy (-OCF) coexist on the benzene ring. Cyanyl groups have certain polarity and reactivity, and can participate in many reactions, such as nucleophilic substitution and hydrolysis. In the trifluoromethoxy group, the fluorine atom is extremely electronegative, which makes this group have a strong electron-absorbing effect and affects the electron cloud distribution of the benzene ring.
In terms of stability, the benzene ring itself has a conjugated system, which gives it a certain stability. However, the introduction of cyanyl and trifluoromethoxy groups changes the electron cloud density of the benzene ring. The strong electron-absorbing action of the trifluoromethoxy group reduces the electron cloud density of the benzene ring, making it difficult for electrophilic substitution reactions to occur, and to some extent enhances the stability of the compound. However, the existence of cyanyl groups, because of their reactivity, or can initiate reactions under specific conditions, reduces the stability.
Under normal conditions, 1-cyano-4 - (trifluoromethoxy) benzene is relatively stable. When exposed to high temperatures, strong acids, strong bases or specific catalysts, cyano or trifluoromethoxy groups may react. For example, when catalyzed by strong acids or strong bases, cyanyl groups can be hydrolyzed into carboxyl or amide groups; when high temperatures and suitable reagents are available, trifluoromethoxy groups may react with substitution.
In summary, the stability of 1-cyano-4 - (trifluoromethoxy) benzene is not absolute, and it is relatively stable at room temperature and pressure without the action of special reagents; however, under special conditions, its cyano group and trifluoromethoxy group may participate in the reaction, affecting the overall stability.
What are the synthesis methods of 1-Cyano-4- (Trifluoromethoxy) Benzene?
The synthesis method of 1-cyano-4 - (trifluoromethoxy) benzene is of interest in the field of organic synthesis. The synthesis of this compound is common in the following ways.
One of them can be prepared by aromatic nucleophilic substitution reaction. React with an aromatic halogen containing a cyanyl group with a trifluoromethoxy reagent. For example, 4-halobenzonitrile (the halogen atom can be chlorine, bromine, etc.) reacts with a trifluoromethoxylating reagent, such as potassium trifluoromethoxy or silver trifluoromethoxy, in a suitable organic solvent, under heating or in the presence of a catalyst. The reaction conditions need to be carefully regulated, and the choice of organic solvent is very critical. Commonly used are dimethyl sulfoxide (DMSO), N, N-dimethylformamide (DMF), etc., because of its good solubility to the reagent and stable reaction intermediates. The temperature also depends on the activity of the halogen atom and the characteristics of the reagent, generally between 60 and 120 ° C.
Second, it can also be achieved through the coupling reaction catalyzed by palladium. First prepare cyanoaryl boric acid or borate ester, and then react with the halide containing trifluoromethoxy group under the combined action of palladium catalyst, ligand and base. Palladium catalysts such as tetra (triphenylphosphine) palladium (0), etc. The ligand can be selected from bipyridine, etc. The base is potassium carbonate, sodium carbonate, etc. The reaction solvent can be selected from toluene, dioxane, etc. Such reaction conditions are mild and highly selective, but the cost of catalysts and ligands is high, and the cost and benefit need to be weighed.
Third, the target molecule can be constructed by multi-step reaction from simple raw materials containing cyanyl groups and trifluoromethoxy groups. For example, using p-cyanophenol as the starting material, the nucleophilic substitution reaction with halogenated trifluoromethane under basic conditions is first carried out, and the trifluoromethoxy group is introduced. This process requires the selection of suitable bases and reaction temperatures to ensure the smooth progress of the reaction and few side reactions.
The above synthesis methods have their own advantages and disadvantages. In practical application, it is necessary to comprehensively consider many factors such as the availability of raw materials, cost, difficulty of reaction conditions and purity of target products, and choose the most suitable one.
What is the price range of 1-Cyano-4- (Trifluoromethoxy) Benzene in the market?
The price range of 1-cyano-4- (trifluoromethoxy) benzene in the market is difficult to determine. Its price often changes due to a variety of factors, and the market conditions are also changing rapidly.
In the past, the price of such fine chemicals often varied according to their purity, supply and demand, difficulty in preparation, and origin. If the purity is very high, it reaches the experimental research level, and it is suitable for high-end scientific research purposes, the price is often not cheap. Because the preparation of such high-purity substances often requires exquisite craftsmanship and complicated processes, the cost is not low.
And if it is for industrial use, its purity requirements may be slightly reduced, and the price should also be different. When the supply is abundant, the merchant may reduce the price in order to compete for the market profit; however, if the raw materials are scarce and the preparation is difficult, resulting in a lack of supply, the price will rise.
Furthermore, the price varies depending on the origin. Overseas importers, or due to tariffs, transportation and other fees, have higher prices than local producers. If the local preparation technology is refined and the production capacity is greatly increased, the price may stabilize and drop.
Although there is no conclusive price range to report, if you want to know the details, you can consult the chemical raw material supplier, or check the quotation of the chemical product trading platform, you can get the current more accurate price range.