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What are the main uses of 1-Ethynyl-4-Fluorobenzene?
1-Ethynyl-4-fluorobenzene is widely used. In the field of organic synthesis, it is an essential building block. Because of its alkynyl group and fluorobenzene ring, both have high reactivity and can initiate various chemical reactions to produce complex and functionally specific organic compounds.
In terms of nucleophilic addition reaction, the alkynyl group can interact with many nucleophilic reagents, such as alcohols and amines. Nucleophilic reagents attack alkynyl groups and can produce substances with enol ethers or enamines. This is commonly used in the synthesis of complex natural products and pharmaceuticals. It can increase the functional group diversity of molecules and optimize the biological activity and pharmacological properties of the products.
Because of the fluorine atom attached to the benzene ring, fluorine has high electronegativity, which can change the electron cloud distribution of compounds and affect the polarity, lipophilicity and biological activity of molecules. In medicinal chemistry, fluorine atoms are often introduced to optimize the metabolic stability, bioavailability and targeting of drugs. 1-Ethynyl-4-fluorobenzene can be used as a key intermediate. Through a series of reactions, fluorine-containing structures are introduced into drug molecules to create new drugs with unique curative effects.
In the field of materials science, it also has important uses. It can be used to prepare organic materials with special optoelectronic properties through its reactive activity. If it is polymerized and constructed on the main chain or side chain of the polymer, the material is endowed with unique optical and electrical properties, which is expected to be used in organic Light Emitting Diode (OLED), organic field effect transistor (OFET) and other optoelectronic devices to improve the performance and stability of the device.
1-ethynyl-4-fluorobenzene is an indispensable raw material in many fields such as organic synthesis, medicinal chemistry, and materials science, promoting progress and development in various fields.
What are the physical properties of 1-Ethynyl-4-Fluorobenzene?
1-Ethynyl-4-fluorobenzene, its physical properties are as follows:
This substance is mostly liquid at room temperature. Looking at it, the pure one is colorless to light yellow transparent, and its color is pure, like the beginning of a clear spring, without the disturbance of variegated colors. Smell it, it has a special aromatic smell, like the fragrance of spring flowers, but it has a unique charm, lingering in the nose, clear and discernible.
When it comes to the melting point, it is around -19 ° C, just like the temperature when the winter cold is not over. Under this temperature, its state is like ice, solid and shaped; and the boiling point is between 154-156 ° C, just like the heat of summer. At this temperature, it is like ice melting in water, turning into gas, rising and drifting away.
Its density is about 1.12g/cm ³, which is slightly heavier than water. If it is placed in one place with water, it will be like a stone sinking into an abyss, naturally settling at the bottom of the water. In terms of solubility, it can be well miscible in common organic solvents such as ethanol, ether, and dichloromethane, just like fish swimming in water and blending seamlessly; however, in water, it is difficult to dissolve, such as oil floating in water, with clear boundaries.
In addition, the vapor pressure of 1-ethynyl-4-fluorobenzene also has characteristics under specific conditions. Its vapor is like light smoke, although invisible but powerful, it can form a certain pressure in a closed space, affecting the environment for its storage and use. Its refractive index is also fixed. When light passes through, such as through glass, it is refracted at a specific angle. This characteristic may be useful in optical related research and applications.
Is 1-Ethynyl-4-Fluorobenzene chemically stable?
The chemical properties of 1-ethynyl-4-fluorobenzene are relatively stable under certain conditions, but they also have specific reactivity. This substance contains ethynyl and fluorobenzene ring structures, which give it unique properties.
In terms of stability, the benzene ring structure gives it a certain degree of stability. The benzene ring has a conjugated large π bond, and the electron cloud is uniformly distributed, which reduces the molecular energy and stabilizes the structure. And the fluorine atom is connected to the benzene ring. Due to the large electronegativity of fluorine, it produces an electron-absorbing induction effect on the electron cloud of the benzene ring, which further enhances the stability of the benzene ring.
The presence of ethynyl groups makes it reactive. The carbon-carbon triple bond in the ethylene group is rich in electrons and is vulnerable to In case of electrophilic reagents such as hydrogen halide, the carbon-carbon triple bond can undergo an addition reaction to form halogenated olefin products. At the same time, ethynyl groups can also participate in many organic synthesis reactions, such as coupling reactions with transition metals, etc., demonstrating their important uses in the field of organic synthesis.
Its stability is also affected by external conditions. When high temperature, strong oxidants or specific catalysts exist, 1-ethynyl-4-fluorobenzene may react and cause its structure to change. Therefore, when storing and using, its chemical properties and reaction conditions need to be considered to ensure safe and effective use.
What are 1-Ethynyl-4-Fluorobenzene synthesis methods?
1-Ethynyl-4-fluorobenzene is an important intermediate in organic synthesis. Its synthesis methods are diverse, and the common ones are listed below:
First, 4-fluorobromobenzene is used as the starting material. Shilling 4-fluorobromobenzene reacts with magnesium chips in anhydrous ethyl ether to prepare Grignard's reagent. This step requires an anhydrous and oxygen-free environment. Geingert's reagent is active and easily decomposes in contact with water and oxygen. After obtaining Grignard's reagent, it reacts with ethynyl magnesium bromide. After hydrolysis and other post-treatment steps, 1-ethynyl-4-fluorobenzene can be obtained. The raw materials of this method are easy to obtain, but the reaction conditions are harsh, and anhydrous and anoxic need to be strictly controlled, and the preparation process of Grignard reagent is slightly complicated.
Second, 4-fluorobenzaldehyde is used as the starting material. First, 4-fluorobenzaldehyde is nucleophilic addition reaction with ethynyl magnesium bromide to generate the corresponding alcohol. Subsequently, the alcohol is dehydrated. The common dehydrating agent such as concentrated sulfuric acid or p-toluenesulfonic acid is reacted at an appropriate temperature to obtain 1-ethynyl-4-fluorobenzene. This route has a little more steps, but the reaction steps are relatively mild and require slightly less reaction equipment.
Third, 4-fluorobenzene is used as the raw material. Through bromination reaction, bromine atoms are added to the double bond of 4-fluorostyrene to form dibromide. Then, in the alcohol solution of strong bases such as potassium hydroxide, an elimination reaction is carried out to remove two molecules of hydrogen bromide to form ethynyl groups, thereby obtaining 1-ethynyl-4-fluorobenzene. The reaction conditions of this method are relatively easy to control, but the bromination step needs to pay attention to the amount of bromine and the reaction temperature to avoid excessive bromination.
When synthesizing 1-ethynyl-4-fluorobenzene, the appropriate synthesis method should be carefully selected according to many factors such as the availability of raw materials, reaction conditions, cost and the purity of the target product.
What is the price range of 1-Ethynyl-4-Fluorobenzene in the market?
The price of 1-ethynyl-4-fluorobenzene in the market is difficult to determine. This is due to various factors that disturb its price fluctuations.
First of all, the production of 1-ethynyl-4-fluorobenzene is difficult and difficult. Its raw materials may need to be carefully selected, and the reaction conditions must also be strictly controlled, such as temperature, pressure, catalyst, etc. If the preparation technology is excellent and the yield is high, the price may drop slightly; conversely, if the process is prolific and the yield is low, the cost will rise and the price will also rise.
Furthermore, market supply and demand are the main reasons. If at a certain time, many industries, such as medicine, electronics, etc., have a strong demand for 1-ethynyl-4-fluorobenzene, but the supply is limited, its price will rise; if the supply exceeds the demand, the price will fall.
In addition, market competition also has an impact. If there are many suppliers in the market, they will compete with each other to occupy the market, or reduce their price; if the supply is low, the monopoly will become possible, and the price will be high.
And transportation, storage and other factors should not be ignored. 1-ethynyl-4-fluorobenzene may need to be transported and stored specially to ensure its quality, which increases the cost and causes the price to rise.
According to common sense, the price of 1-ethynyl-4-fluorobenzene per gram may be between tens of yuan and hundreds of yuan. However, this is only an approximation, and the actual price depends on the specific market conditions, quality and purchase quantity. Buyers who want to know the exact price should consult the chemical raw material supplier to obtain real-time and accurate price information.