Name | 1-allyl-3-chloro-4-fluorobenzene |
Molecular Formula | C9H8ClF |
Molecular Weight | 170.61 |
Appearance | Liquid (predicted) |
Boiling Point | 200 - 202 °C (predicted) |
Melting Point | N/A |
Density | 1.125 g/mL at 25 °C (predicted) |
Flash Point | 75.8 °C (predicted) |
Water Solubility | Insoluble (predicted) |
Vapor Pressure | 0.27 mmHg at 25 °C (predicted) |
Logp | 3.67 (predicted) |
Chemical Formula | C9H8ClF |
Chemical Formula | C9H8ClF |
What is the chemical structure of 1-allyl-3-chloro-4-fluorobenzene?
1 - allyl - 3 - chloro - 4 - fluorobenzene is an organic compound with unique chemical structure. This compound is based on the benzene ring, the benzene ring, the six-membered carbon ring has a conjugated double bond, and the properties are stable and aromatic.
On the benzene ring, there is an allyl group in one position. The allyl group has the structure of -CH _ 2 - CH = CH _ 2, which contains carbon-carbon double bonds. This compound is unsaturated and can participate in many reactions such as addition and oxidation. Because of its active double bonds, the electron cloud density is high, and it is vulnerable to electrophilic reagents. At the position
3, there are chloro atoms (chloro group), and chlorine atoms have strong electronegativity, which can change the density distribution of benzene ring electron clouds. Due to its electron-absorbing induction effect, the electron cloud density of the adjacent and para-potential of the benzene ring is relatively reduced, and the mesopotope is relatively increased, which affects the selectivity of the check point of the electrophilic substitution reaction of the compound. At the position
4, there are fluoro atoms (fluoro group). The fluorine atom has extremely strong electronegativity, which also has a significant impact on the benzene ring electron cloud. Similar to the chlorine atom, its electron-withdrawing effect changes the density of the benzene ring electron cloud. However, the radius of the fluorine atom is small, and the length and bond energy of the C-F < Br >
The interaction of groups in the structure of this compound results in its unique physical and chemical properties, which may have potential applications in organic synthesis, medicinal chemistry and other fields.
What are the main uses of 1-allyl-3-chloro-4-fluorobenzene?
1 - allyl - 3 - chloro - 4 - fluorobenzene is an organic compound with a wide range of uses.
In the field of organic synthesis, it is often used as a key intermediate. Because the benzene ring is connected with allyl, chlorine and fluorine atoms, this unique structure endows it with various reactivity. Through various chemical reactions, such as nucleophilic substitution, electrophilic substitution, addition reaction, etc., many organic compounds with different functions can be derived. For example, under specific reaction conditions, allyl can participate in olefin-related reactions to achieve the growth of carbon chains and the expansion of structures; chlorine atoms and fluorine atoms can also undergo substitution reactions respectively, introducing other functional groups to help synthesize complex organic molecules for the creation of new drugs, functional materials, etc.
In the field of materials science, it may be used to prepare special polymer materials. With the help of polymerization, it is used as a monomer or comonomer to integrate into the polymer chain, thereby giving the material unique properties. The introduction of fluorine atoms can enhance the chemical corrosion resistance of the material and reduce the surface energy; allyl can improve the crosslinking degree and mechanical properties of the material, making the material stand out in fields such as aerospace and electronic devices that require strict material properties.
In the field of pharmaceutical research and development, the specific structure of 1-allyl-3-chloro-4-fluorobenzene may make it have certain biological activity. Researchers can modify and optimize the structure of this compound to explore lead compounds with potential pharmacological activity. After in-depth biological activity testing and pharmacological research, it is expected to develop new drugs for the treatment of various diseases.
In summary, 1-allyl-3-chloro-4-fluorobenzene has important uses in organic synthesis, materials science and pharmaceutical research and development due to its unique structure, and is of great significance to promote the development of related fields.
What are the physical properties of 1-allyl-3-chloro-4-fluorobenzene?
1 - allyl - 3 - chloro - 4 - fluorobenzene is an organic compound with unique physical properties. It is liquid or solid, depending on the specific conditions. At room temperature and pressure, it is mostly colorless to light yellow liquid with a special smell.
Looking at its color, it is colorless and transparent when it is pure, but when it contains impurities, it may be light yellow. Its smell is special, although it is difficult to describe accurately, it has a certain irritation. It is easy to detect its unique smell when it is close to a fine smell.
When it comes to the state of matter, it is affected by the intermolecular forces and structures. At room temperature and pressure, it is a liquid state. Due to the moderate attractive force between molecules, it is not enough to make the molecules closely arranged into a solid state, and it can maintain a certain volume and shape. The boiling point of
is also an important physical property. Generally, the boiling point varies according to the molecular mass and intermolecular forces. The molecular mass and structure of 1-allyl-3-chloro-4-fluorobenzene cause its boiling point to be in a specific range, about [X] ° C. This boiling point causes the compound to change from liquid to gaseous state at the corresponding temperature. The melting point of
also has characteristics. When the temperature drops to a certain extent, the thermal motion of the molecules slows down, and they are arranged close to each other in an orderly manner to form a solid state. Its melting point is about [X] ° C. Below this temperature, the compound is in a solid state.
In terms of solubility, as an organic compound, it has good solubility in organic solvents such as ethanol, ether, acetone, etc. Due to the principle of "similar miscibility", it has a similar molecular structure and polarity to organic solvents. However, the solubility in water is poor. Due to the large difference between the non-polar structure and the polarity of water, it is difficult to form effective interactions between water molecules and compound molecules.
Density is also one of the characteristics. Compared with water, the density is about [X] g/cm ³. Due to the molecular weight and accumulation mode, its density is different from that of water. This characteristic is of great significance in the process of separation and mixing. < Br >
The physical properties of this compound are crucial for applications in chemical and pharmaceutical fields, including separation, purification, storage, and use.
What are 1-allyl-3-chloro-4-fluorobenzene synthesis methods?
1 - allyl - 3 - chloro - 4 - fluorobenzene is an organic compound, and its synthesis methods are many, and the following are selected.
One is to use halogenated aromatics as the starting material. 3 - chloro - 4 - fluorobenzene can be taken first, so that it and allyl halide (such as allyl chloride or allyl bromide) in the presence of bases (such as potassium carbonate, sodium carbonate, etc.) undergo nucleophilic substitution in appropriate organic solvents (such as N, N - diylmethformamide, acetone, etc.). In this reaction process, the alkali acts on the halogenated aromatics to generate carbon anions, which then attack the alpha-carbon of allyl halide, forming a carbon-carbon bond, resulting in 1-allyl-3-chloro-4-fluorobenzene. The advantage is that the reaction conditions are relatively mild and the yield is acceptable; however, there are also disadvantages, such as the raw halogenated aromatics need to be prepared in advance, and the reaction may produce by-products.
Second, the coupling reaction is catalyzed by metal. 3-Chloro-4-fluorophenylboronic acid and allyl halide are selected to catalyze with palladium catalysts (such as Pd (PPh < unk >), PdCl < unk > (dppf), etc.) in bases (such as cesium carbonate, potassium phosphate, etc.) and appropriate solvents (such as 1,4-dioxane, toluene, etc.) for Suzuki coupling reaction. In this process, the palladium catalyst is first coordinated with aryl boronic acid and halogenated alkenyl compounds, and the steps of oxidative addition, transmetallization and reduction elimination are used to realize the construction of carbon-carbon bonds. This method has good selectivity and can effectively avoid complex side reactions. It is suitable for substrates of various substituents, but the catalyst cost is high.
Third, aromatic derivatives are used as the starting materials for electrophilic substitution. Aromatic hydrocarbons with suitable substituents can be modified first to activate the benzene ring at a specific position, and then react with allyl-related electrophiles (such as allyl cation equivalent reagents) under the catalysis of Lewis acids (such as AlCl, FeCl, etc.). However, this method is difficult to regioselectively control, and fine regulation of the substrate structure and reaction conditions is required to improve the selectivity of the target product.
In short, each method of 1-allyl-3-chloro-4-fluorobenzene synthesis has advantages and disadvantages. In practical application, it is necessary to comprehensively consider factors such as raw material availability, cost, product purity and yield requirements, and choose the appropriate method.
1-allyl-3-chloro-4-fluorobenzene what are the precautions during storage and transportation?
1 - allyl - 3 - chloro - 4 - fluorobenzene is an organic compound. When storing and transporting, pay attention to the following things:
First, when storing, find a cool, dry and well-ventilated place. This compound is prone to reaction or decomposition when heated. If the environment is humid, or interacts with water vapor, it will affect its purity and stability. If placed in a dark and well-ventilated warehouse, it can be kept safe.
Second, it must be kept away from fires and heat sources. Because of its flammability, it is dangerous to encounter open flames, hot topics or ignition. Fireworks are strictly prohibited around the warehouse, and electrical equipment must also be explosion-proof.
Third, it should be stored separately from oxidants, acids, alkalis, etc., and must not be mixed. This compound is chemically active, and it will come into contact with the above substances or react violently, which will lead to safety accidents.
Fourth, the storage container must be sealed. To prevent it from volatilizing, polluting the environment, and to avoid reactions with air components. Use high-quality sealed containers and check their sealing regularly.
Fifth, during transportation, make sure that the container does not leak, collapse, fall, or damage. Light loading and light unloading, to avoid violent impact and vibration, and to prevent leakage caused by package damage.
Sixth, the transportation vehicle should be equipped with the corresponding variety and quantity of fire equipment and leakage emergency treatment equipment. In case of an accident, it can be dealt with in time.
Seventh, when transporting, you need to follow the specified route and do not stop in densely populated areas and traffic arteries. In case of leakage, it will affect people and traffic, and the consequences will be disastrous.