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What are the main uses of 3-Fluoro-4-Methylbenzeneboronic Acid?
3-Fluoro-4-methylphenylboronic acid has a wide range of uses and is often a key reagent in the field of organic synthesis.
First, it is effective in the reaction of building carbon-carbon bonds. For example, in the Suzuki coupling reaction, 3-fluoro-4-methylphenylboronic acid can react with halogenated aromatics or alkenyl halides under conditions such as palladium catalysts. With this reaction, the benzene ring structure containing fluorine and methyl can be precisely introduced into the more complex organic molecular structure, which can help to synthesize many organic compounds with special structures and properties, such as intermediates of new drug molecules and key structural units of functional materials.
Second, in the field of materials science, it also has outstanding performance. It can be used to prepare organic semiconductor materials with specific optoelectronic properties. Due to the introduction of fluorine atoms, the electron cloud density and intermolecular forces of the material can be adjusted, and the presence of methyl groups will also affect the spatial structure and solubility of the material. By rationally designing the reactions related to 3-fluoro-4-methylphenylboronic acid, materials with unique optical and electrical properties can be synthesized, which can be used in organic Light Emitting Diode (OLED), organic solar cells and other devices to improve their performance and efficiency.
Third, in the field of medicinal chemistry, it plays an important role. As a key intermediate, it helps to synthesize compounds with potential biological activities. In the process of drug development, through chemical modification and derivatization, a diverse library of compounds can be obtained for screening lead compounds with specific pharmacological activities, high selectivity and low toxicity, laying the foundation for the creation of new drugs.
What are the physical properties of 3-Fluoro-4-Methylbenzeneboronic Acid?
3-Fluoro-4-methylphenylboronic acid, which is an important raw material for organic synthesis, is widely used in many fields such as medicine, pesticides, and material science. Today I will describe its physical properties in detail for you.
Looking at its appearance, 3-fluoro-4-methylphenylboronic acid is usually in the form of a white to off-white solid powder, with a uniform and delicate quality. This morphology is conducive to its uniform dispersion in various chemical reaction systems, so as to effectively participate in the reaction.
As for the melting point, it has been accurately determined to be between 138 ° C and 142 ° C. As an important physical property of substances, the melting point can not only be used for purity identification, but also is of great significance for the study of its phase change and stability under different temperature conditions. In this temperature range, the substance will gradually melt from a solid state to a liquid state, and this process requires the absorption of specific heat to overcome intermolecular forces.
In terms of solubility, 3-fluoro-4-methylphenylboronic acid exhibits a certain solubility in common organic solvents such as ethanol, ether, and dichloromethane. In ethanol, with the increase of temperature, the solubility also increases significantly. In water, its solubility is relatively low. This solubility characteristic provides a key basis for the selection of reaction solvents in the synthesis process, and also affects the separation and purification process of the product.
In addition, although the density of this substance does not have an extremely accurate standard constant value, it is roughly in the range of common organic boric acids. Density, as an intrinsic property of substances, is an indispensable reference value for chemical production processes involving quantitative reactions and material ratios.
Its stability performs well in a dry environment at room temperature and pressure. However, it should be noted that it is more sensitive to humidity, and long-term exposure to high humidity environments may cause reactions such as hydrolysis to change its structure and chemical properties. Therefore, when storing, it is necessary to ensure that the environment is dry to maintain the stability of its physical and chemical properties.
What are the synthetic methods of 3-Fluoro-4-Methylbenzeneboronic Acid?
In the synthesis of 3-fluoro-4-methylphenylboronic acid, there are several common paths. First, the halogenated aromatic hydrocarbon is used as the starting material. First, 3-fluoro-4-methylhalobenzene is taken at low temperature and in a suitable solvent such as tetrahydrofuran, and interacts with an organolithium reagent such as n-butyl lithium. This step requires fine temperature regulation. Due to the high activity of organolithium reagents, it is easy to cause a cluster of side reactions when heated. After this reaction, the halogen atom is replaced by a lithium atom to form a corresponding lithium compound. Subsequently, the lithium compound is mixed with borate esters such as trimethyl borate or triisopropyl borate and reacted at an appropriate temperature. The boron atom in the borate ester is combined with the lithium compound, and then treated with dilute acid such as hydrochloric acid or dilute sulfuric acid through a hydrolysis step to obtain 3-fluoro-4-methylphenylboronic acid.
Second, it can be achieved by metal-catalyzed coupling reaction. Using 3-fluoro-4-methyl halobenzene and diphenol borate as raw materials, in the presence of metal catalysts such as palladium or nickel and suitable ligands, it reacts in organic solvents such as dioxane or toluene. During this process, the metal catalyst prompts the halogen atom in the halobenzene to couple with the borate ester to form the borate derivative of the target product. Subsequent alkali treatment, such as potassium carbonate, sodium carbonate and other basic substances, can also obtain 3-fluoro-4-methylphenylboronic acid through hydrolysis and conversion.
Third, with the help of Grignard's reagent method. First, 3-fluoro-4-methylhalobenzene is reacted with magnesium chips in anhydrous ether or tetrahydrofuran to prepare Grignard's reagent. This reaction environment needs to be strictly anhydrous, because Grignard's reagent decomposes in contact with water. After making Grignard's reagent, reacts with borate ester, and then hydrolyzes, 3-fluoro-4-methylphenylboronic acid can also be obtained. Each method has its own advantages and disadvantages. When actually synthesizing, it is necessary to comprehensively consider factors such as the availability of raw materials, cost, and difficulty of reaction conditions, and make a prudent choice.
3-Fluoro-4-Methylbenzeneboronic Acid should pay attention to when storing and transporting
3-Fluoro-4-methylphenylboronic acid requires attention to many key matters during storage and transportation.
This compound is more active in nature and is stored in a dry environment. Because it is easy to react with water vapor, if the environment is humid, it will cause deterioration, so it should be stored in a dry and ventilated warehouse. The warehouse temperature should also be reasonably controlled and should not be too high. Usually, it should be maintained at 2-8 ° C to prevent reactions such as decomposition caused by excessive temperature.
Furthermore, the storage place must be kept away from fire and heat sources. 3-Fluoro-4-methylphenylboronic acid may burn or explode when exposed to open flames, hot topics, so such dangerous factors should be strictly avoided.
During transportation, the packaging must be tight. Packaging materials that meet relevant standards should be selected to prevent material leakage due to packaging damage during transportation. When loading and unloading, care should also be taken to avoid collisions and drops to prevent packaging damage.
At the same time, the transportation vehicle should be equipped with corresponding fire protection and emergency treatment equipment. If there is an emergency situation such as leakage during transportation, it can be dealt with in time to reduce the harm. Transportation personnel also need to undergo professional training in advance, familiar with the characteristics of 3-fluoro-4-methyl phenylboronic acid and emergency treatment methods to ensure the safety of the transportation process. Only in this way can the quality and safety of 3-fluoro-4-methyl phenylboronic acid be effectively guaranteed during storage and transportation, and accidents can be prevented.
What is the market price range for 3-Fluoro-4-Methylbenzeneboronic Acid?
The market price range of 3-fluoro-4-methylphenylboronic acid often varies due to a variety of factors. In the chemical market, the impact of the price of this compound is primarily on the cost of raw materials. If the raw materials required for its preparation are sufficient and the price is stable, the price of the product will also be relatively stable; on the contrary, if the raw materials are scarce and the price soars, the price of this product will also rise.
Furthermore, the complexity of the production process is also the key. If the preparation process is complicated, requires many steps, special equipment and fine operations, and consumes a lot of manpower and material resources, the price will be high; if the process is simple and the cost is reduced, the price will also be reduced.
The market supply and demand relationship also affects its price. If the demand for 3-fluoro-4-methylphenylboronic acid is strong in many industries and the supply is limited, the price will rise; if the demand is low and the supply is excessive, the price will be under pressure.
In addition, the brand and product quality of the manufacturer are also affected. Well-known manufacturers and high-quality products may have higher prices than ordinary products.
Generally speaking, the price of this product may range from tens to hundreds of yuan per gram. However, it is difficult to determine the specific price accurately. It depends on the actual situation of the current market. The buyer should carefully observe the market conditions and compare them with many parties to obtain a reasonable price.