Chemical Formula | C6H6BFO2 |
Molecular Weight | 139.92 |
Appearance | White to off - white solid |
Melting Point | 155 - 159 °C |
Solubility | Soluble in common organic solvents like ethanol, ether |
Density | 1.31 g/cm³ |
Purity | Typically high - purity products around 97%+ |
Boiling Point | Decomposes before boiling |
Stability | Stable under normal conditions, but moisture - sensitive |
Chemical Formula | C6H6BFO2 |
Molar Mass | 139.92 g/mol |
Appearance | White to off - white solid |
Melting Point | 124 - 128 °C |
Solubility In Water | Slightly soluble |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, dichloromethane |
Pka Value | Around 8.6 (approximate value for boronic acid group) |
Boiling Point | Decomposes before boiling |
Stability | Stable under normal conditions, but sensitive to strong oxidizing agents |
Name | 3-Fluorobenzeneboronic acid/3-Fluorophenylboronic acid |
Chemical Formula | C6H6BFO2 |
Molar Mass | 141.92 g/mol |
Appearance | White to off - white solid |
Melting Point | 142 - 146 °C |
Solubility In Water | Slightly soluble |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, dichloromethane |
Pka Value | ~9.2 |
Cas Number | 1493-11-0 |
Odor | Odorless |
What are the main uses of 3-fluorophenylboronic acid (3-FLUOROBENZENEBORONIC ACID/3-FLUOROPHENYLBORONIC ACID)?
3 - FLUOROBENZENEBORONIC ACID/3 - FLUOROPHENYLBORONIC ACID is widely used and plays an important role in the field of organic synthesis. It has significant applications in materials science and medicinal chemistry.
First, in organic synthesis, this is a key intermediate. It can participate in the Suzuki coupling reaction, which is a classic method for building carbon-carbon bonds. By reacting with halogenated aromatics or halogenated alkenes under the action of suitable catalysts and bases, various biphenyls or alkenylbenzene compounds can be efficiently synthesized. These products play an indispensable role in the synthesis of drugs, natural products and organic functional materials. For example, when synthesizing some drug molecules with specific biological activities, the Suzuki coupling reaction involving 3-fluorophenylboronic acid can precisely introduce the fluorobenzene ring structure, thereby changing the electronic properties, lipophilicity, etc. of the drug molecule to optimize the activity and pharmacokinetic properties of the drug.
Second, in the field of materials science, 3-fluorophenylboronic acid also has important uses. Because the fluorophenylboronic ring structure can impart unique properties to the material, it is often used in the preparation of organic optoelectronic materials. For example, in the synthesis of organic Light Emitting Diode (OLED) materials, the introduction of 3-fluorophenylboronic acid-derived structures helps to adjust the luminous color of the material, improve the luminous efficiency and stability. In solar cell materials, related compounds can also optimize the charge transport performance of the material by virtue of their special structure, thereby improving the photoelectric conversion efficiency of solar cells.
Third, in terms of medicinal chemistry, fluorophenylboronic acid-containing compounds synthesized by 3-fluorophenylboronic acid exhibit diverse biological activities. Some of the compounds have potential antibacterial, antiviral and antitumor activities, providing a wealth of structural templates and lead compounds for the development of new drugs. Researchers can modify and optimize their structures based on their structures, hoping to discover innovative drugs with higher activity and lower toxicity.
What are the synthesis methods of 3-fluorophenylboronic acid (3-FLUOROBENZENEBORONIC ACID/3-FLUOROPHENYLBORONIC ACID)
There are several common methods for synthesizing 3-fluorophenylboronic acid as follows.
One is the Grignard reagent method. First, 3-fluorobromobenzene and magnesium chips are reacted in an organic solvent such as anhydrous ether or tetrahydrofuran at an appropriate temperature to prepare Grignard's reagent. Subsequently, the Grignard reagent is reacted with borate esters (such as trimethyl borate), and the reaction is completed. After hydrolysis, 3-fluorophenylboronic acid is obtained. The steps of this method are relatively clear, but Grignard's reagent requires strict reaction conditions and requires an anhydrous and anaerobic environment. If the operation is slightly careless, it is easy to cause the reaction to fail.
The second is the Suzuki reaction method. Using 3-fluorohalobenzene (such as 3-fluorobromobenzene or 3-fluoroiodobenzene) and diphenol borate as raw materials, in the presence of palladium catalysts (such as tetra (triphenylphosphine) palladium, etc.) and ligands (such as tri-tert-butylphosphine, etc.), the reaction is carried out in a basic environment (aqueous solution of bases such as potassium carbonate and sodium carbonate mixed with organic solvents). The reaction conditions are relatively mild, and the carbon-boron bond can be effectively constructed, and the product selectivity is quite high. However, the cost of catalysts and ligands is high, and the cost factor needs to be weighed when large-scale production.
In addition, 3-fluoroaniline is also used as the starting material. First, 3-fluorophenylboronic acid is converted into diazonium salt by diazotization reaction, and then reacted with boric acid or its derivatives. After a series of transformations, the target product 3-fluorophenylboronic acid can be obtained. The starting material of this route is relatively easy to obtain, but the diazotization reaction needs to precisely control the reaction conditions, otherwise it is easy to cause safety problems.
All synthesis methods have their own advantages and disadvantages. In practical application, the appropriate synthesis path should be carefully selected according to specific needs, such as product purity, cost, reaction scale and other factors.
What are the storage conditions for 3-fluorophenylboronic acid (3-FLUOROBENZENEBORONIC ACID/3-FLUOROPHENYLBORONIC ACID)?
3-Fluorophenylboronic acid, its storage conditions are very critical. This material should be placed in a cool and dry place, and must not be exposed to high temperature and humidity. High temperature can easily cause its chemical properties to change, and humidity may cause moisture and other conditions, which will damage its quality.
Furthermore, it needs to be stored in a sealed container. The purpose of sealing is to prevent contact with oxygen, moisture and other substances in the air. Because 3-fluorophenylboronic acid may react with components in the air, it will affect its purity and performance.
At the same time, the storage place should be kept away from fire sources and oxidants. 3-Fluorophenylboronic acid may be in danger of combustion in case of ignition, and contact with oxidants may trigger violent chemical reactions, endangering safety.
In addition, during storage, it should be avoided from vibration and impact. Strong vibration and impact or damage to the container may cause leakage of 3-fluorophenylboronic acid, and may also cause accidental chemical reactions.
In terms of identification, key information such as name, specification, storage date must be clearly marked on the container. This can be easy to manage and access, and can also avoid misuse due to unclear identification.
In conclusion, appropriate storage conditions are an important guarantee for the quality and safety of 3-fluorophenylboronic acid and must not be ignored.
What are the physical properties of 3-fluorophenylboronic acid (3-FLUOROBENZENEBORONIC ACID/3-FLUOROPHENYLBORONIC ACID)
3-Fluorophenylboronic acid, also known as 3-FLUOROBENZENEBORONIC ACID or 3-FLUOROPHENYLBORONIC ACID, is an important reagent in organic synthesis. Its physical properties are unique and related to many chemical processes, which are described in detail by you.
On the properties, 3-fluorophenylboronic acid is a white to light yellow crystalline powder under normal conditions, which makes it very convenient for storage and use. Its stability is good. Under conventional conditions, it can be stored for a long time without easy deterioration. However, when it encounters strong oxidants, strong bases and other substances, it will also react chemically and lose its original characteristics. The melting point of
is 203-208 ° C. In this temperature range, 3-fluorophenylboronic acid will melt from solid to liquid. This melting point characteristic is crucial for the identification and purification of this substance. By accurately measuring the melting point, its purity can be judged.
In terms of solubility, it is slightly soluble in water, but soluble in common organic solvents such as ethanol, ether, dichloromethane, etc. This solubility characteristic allows it to select suitable solvent systems according to different reaction requirements in organic synthesis reactions to ensure the smooth progress of the reaction.
From the perspective of molecular structure, 3-fluorophenylboronic acid molecules contain fluorine atoms, benzene rings and boric acid groups. Fluorine atoms have strong electronegativity, which will affect the distribution of molecular electron clouds, reduce the electron cloud density of the benzene ring, and then affect the chemical activity and reaction selectivity of the substance. The conjugated structure of the benzene ring endows the molecule with certain stability and provides a diverse check point for the reaction. Boric acid groups are nucleophilic and Lewis acidic, and can participate in many organic reactions, such as Suzuki coupling reaction, etc., and play a key role in the construction of carbon-carbon bonds and other reactions.
The physical properties of this substance are of great significance in the fields of organic synthesis, drug research and development, and have a profound impact on its application efficiency and reaction path design.
What is the price range of 3-fluorophenylboronic acid (3-FLUOROBENZENEBORONIC ACID/3-FLUOROPHENYLBORONIC ACID) in the market?
3-Fluorophenylboronic acid, in the market price range, it is difficult to determine. This is due to the intertwining of many factors, resulting in unstable price fluctuations.
First of all, raw materials are required for their preparation. If the price of raw materials changes, the price of the product will also be affected. If raw materials are scarce, or due to natural disasters or geopolitics, the supply is not smooth, and the price will rise.
In addition, the process, the synthesis method is different, the process is difficult and easy, the cost varies. Efficient and low-cost processes can reduce their prices; complex and expensive methods make the price high.
Market supply and demand are also key. If many industries, such as medicine and electronics, have strong demand for them but limited supply, the price will rise; conversely, if the demand is low and the supply is sufficient, the price will decline.
Regional differences cannot be ignored. In different places, due to different transportation costs and tax policies, the price is also different. In prosperous cities, the demand is large, or the price is slightly lower due to convenient logistics; in remote places, transportation is difficult, the cost increases, and the price may be high.
According to past market conditions and related information, the price per gram may range from tens to hundreds of yuan. In small-scale scientific research procurement, the quantity is small, and the price may be high; in industrial large-scale procurement, the price may be lower due to economies of scale. However, this is only a rough estimate. To know the exact price, you must consult the chemical raw material supplier or check the real-time market quotation.