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What is the main use of 1- [ (3,4-difluorophenyl) ethynyl] -4-ethylbenzene?
1 - [ (3,4 - diethylphenyl) ethylphenyl] - 4 - ethylphenyl, which is an organic compound with a wide range of main uses.
In the field of organic synthesis, it is often used as a key intermediate. Organic synthesis aims to build more complex organic molecules. With its own specific structure, this compound can react with many reagents and go through various chemical reaction steps, such as nucleophilic substitution, electrophilic addition, etc., to convert into organic products with special functions and structures. For example, it can be used to synthesize some aromatic compounds with specific spatial configurations and electronic effects, and these products may have potential application value in the field of medicinal chemistry.
It also has important uses in materials science. In view of the aromatic ring and alkyl side chain contained in its molecular structure, it can endow materials with specific physical and chemical properties. For example, introducing it into polymer materials may improve the thermal stability, mechanical properties and optical properties of materials. Because the aromatic ring structure can enhance the interaction between molecules, the material has a higher melting point and thermal decomposition temperature; while the alkyl side chain can adjust the solubility and flexibility of the material, so that the material properties can be optimized according to actual needs, and high-performance materials suitable for different scenarios can be prepared.
In the field of drug development, such compounds may exhibit certain biological activities due to their unique chemical structures. Researchers can modify and modify its structure to explore its interaction mechanism with targets in vivo, and then develop new drugs. For example, using it as a lead compound for structural optimization to enhance the selectivity and affinity of drugs for specific disease targets, providing new drug options for the treatment of diseases.
What are the synthesis methods of 1- [ (3,4-difluorophenyl) ethynyl] -4-ethylbenzene
To prepare 1 - [ (3,4 - diethylphenyl) ethynyl] - 4 - ethynylbenzene, the following ancient methods can be used.
First, start with halogenated aromatics. Take an appropriate amount of 3,4 - diethylphenyl halide and 4 - ethynylbenzene halide, add palladium catalyst (such as tetra (triphenylphosphine) palladium) and copper salt (such as cuprous iodide) in an inert solvent such as tetrahydrofuran, add an organic base such as triethylamine, and heat at controlled temperature to initiate a Sonogashira coupling reaction. In this reaction, palladium catalyzes the coupling of halogenated aromatics with the copper halide intermediate of ethynyl, and through multi-step conversion, the final product is obtained.
Second, based on acetylene derivatives. First, 3,4-diethylphenylacetylene and 4-ethynylbenzene were prepared, and the two were placed in an appropriate solvent. Palladium, copper catalysts and bases were also added to initiate cross-coupling. In the reaction, the base assisted in the activation of the ethynyl group, and palladium catalyzed its coupling with another acetylene derivative to generate 1- [ (3,4-diethylphenyl) ethynyl] - 4-ethynylbenzene.
Third, start with the construction of the benzene ring. By multi-step reaction to construct the benzene ring, 3,4-diethylphenyl and ethynyl-related groups were first introduced, and the substituents were successively linked through the Fu-gram reaction to modify the benzene ring structure. After elimination, rearrangement and other reactions, the molecular structure is improved to achieve the synthesis of 1 - [ (3,4 -diethylphenyl) ethynyl] - 4 -ethynylbenzene.
These methods have their own advantages and disadvantages. Halogenated aromatic hydrocarbon starting materials are common, but the reaction conditions may be harsher; acetylene derivative method steps are slightly simpler, but the preparation of raw materials may not be easy; benzene ring construction method is more suitable for complex structure design, but the route is lengthy and the yield may be low. In practice, when the availability of raw materials, the convenience of reaction conditions and the purity requirements of target products, etc., make careful choices.
What are the physical properties of 1- [ (3,4-difluorophenyl) ethynyl] -4-ethylbenzene
1 - [ (3,4 - diethylbenzene) acetyl] - 4 - acetylbenzene, which is an organic compound, its physical properties are as follows:
Viewed at room temperature and pressure, it is mostly colorless to light yellow liquid, clear texture, and under the influence of light and air, or there is a gradual change of color, slightly dark color.
Smell, has a unique aromatic smell, but this smell is more intense and special than common aromatic hydrocarbons. This smell may be an important symbol in the identification of the chemical industry environment. When it comes to the boiling point, it is about a considerable range of 300 ° C to 320 ° C. Due to the strong van der Waals force and π - π accumulation between molecules, the molecules are closely bound, and a higher temperature is required to make them break free from bondage and vaporize. The melting point is relatively low, in the range of -20 ° C to 0 ° C, reflecting that the molecular arrangement at low temperatures is not regular and the lattice energy is not high.
In terms of solubility, it is difficult to dissolve in water, because it is a non-polar organic substance, and the interaction force with water molecules is much weaker than the hydrogen bond of water molecules themselves. However, in common organic solvents, such as benzene, toluene, dichloromethane, etc., it exhibits good solubility. Due to the principle of "similarity and miscibility", it and organic solvents have non-polar or weakly polar molecular structures. The density of
is slightly larger than that of water, about 1.05-1.15 g/cm ³. Due to the large number of carbon and hydrogen atoms in the molecule and the tight arrangement of atoms, the mass per unit volume is higher than that of water. Its refractive index is about 1.56-1.58. When light propagates in it, it has a specific refraction effect on light due to the molecular structure of the substance. This value is an important parameter in the identification of material purity and structure.
What are the chemical properties of 1- [ (3,4-difluorophenyl) ethynyl] -4-ethylbenzene
1 - [ (3,4-diethylbenzene) acetyl] - 4-acetylbenzene is one of the organic compounds. Its chemical properties are quite rich, try to explain in detail.
In this compound, the benzene ring is an important structural basis, and the benzene ring has a certain stability and conjugation effect. And the acetyl group it contains, this functional group can participate in many chemical reactions.
First, the carbonyl group of the acetyl group is electrophilic and can react with nucleophiles. In case of nucleophilic reagents containing active hydrogen, such as alcohols and amines, nucleophilic addition reactions can occur, resulting in the formation of new compounds. This is an important means to construct carbon-oxygen and carbon-nitrogen bonds in organic synthesis.
Second, the compound can undergo a substitution reaction because it contains a benzene ring and an acetyl group. The hydrogen atom on the benzene ring can be replaced by other groups such as halogen atoms and nitro groups under suitable conditions, such as in the presence of a catalyst. The α-hydrogen atom of the acetyl group has a certain activity due to the influence of the electron-withdrawing effect of the carbonyl group. Under the action of a base, a halogenation reaction can occur, and a halogen atom can be introduced into the α-position.
Third, it may also participate in redox reactions. Acetyl groups can be oxidized under the action of specific oxidants, or reduced under the action of reducing agents, thereby converting into different functional groups to achieve changes in the structure and properties of the compound.
Fourth, due to the interaction between the groups in the molecule, the solubility of the compound in different solvents varies, and due to the existence of conjugate structures, it also has unique spectral properties, and characteristic absorption peaks can appear in the ultraviolet-visible spectrum, which provides convenience for its identification and analysis.
What is the price range of 1- [ (3,4-difluorophenyl) ethynyl] -4-ethylbenzene in the market?
I look at your words, and I am inquiring about the price range of (3,4-diethylphenyl) isopropylbenzene and 4-isopropylbenzene in the market. However, the price of the two is subject to many factors, and it is difficult to determine the exact number.
The first to bear the brunt is the price of raw materials. If the raw materials required for its preparation fluctuate due to changes in season, origin, and supply and demand, the price of these two materials will also fluctuate. For example, if the raw materials are in poor harvest, or if the demand increases sharply and the supply is insufficient, the price will rise.
Furthermore, the complexity of the preparation process is also related to the cost and price. If the process is complex, requires many steps and fine operation, and requires high equipment and technology, and requires huge manpower, material resources, and financial resources, the price of its products will rise.
The state of market supply and demand is the key to affecting prices. If the market has strong demand for (3,4-diethylphenyl) isopropylbenzene and 4-isopropylbenzene, but the supply is limited, merchants will raise prices to make more profits; on the contrary, if the supply exceeds demand, merchants will sell goods, or will reduce prices.
In addition, the quality difference should not be underestimated. Those with high quality often have higher prices than those with ordinary quality due to strict control of the production process and high testing standards.
Overall, the prices of (3,4-diethylphenyl) isopropylbenzene and 4-isopropylbenzene range from tens to hundreds of yuan per kilogram in the market, but this is only a rough range. The actual price depends on the specific time, place and transaction situation.