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What is the chemical structure of 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methyl-2,4 (1H, 3H) -pyrimidinedione?
Eh, the chemical structure of 1 - [[2-fluoro-6 - (trifluoromethyl) phenyl] methyl] - 5-iodine-6-methyl-2,4 (1H, 3H) -pyrimidinedione is a fine structure in organic chemistry.
Looking at its name, it can be analyzed step by step. "Pyrimidinedione" is the core skeleton of this compound, just like the backbone of a building. On its ring, the 2 and 4 positions are diketone groups, giving this structure a specific chemical activity and reaction tendency.
"6-methyl", that is, a methyl group is added to the 6th position of the pyrimidine ring. Although the methyl group is simple, it can change the physical and chemical properties of the molecule, such as solubility and lipophilicity.
"5-iodine", the iodine atom is introduced at the 5th position of the pyrimidine ring. The iodine atom is relatively large and has unique electronic properties, which has a deep impact on the electron cloud distribution and spatial structure of the molecule, and then affects its reactivity and biological activity.
As for "1 - [2-fluoro-6- (trifluoromethyl) phenyl] methyl]", this part is connected to the 1st position of the pyrimidine ring by methylene. On the phenyl group, there are fluorine atoms at 2 positions and trifluoromethyl at 6 positions. Both fluorine atoms and trifluoromethyl have strong electronegativity, which significantly changes the electron cloud density and steric resistance of the benzene ring, and also has a profound impact on the properties of the whole molecule.
Overall, the chemical structure of this compound is fine and complex, and the interaction of various groups jointly determines its unique chemical and physical properties. It may have specific uses and research value in organic synthesis, pharmaceutical chemistry and other fields.
What are the main uses of 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methyl-2,4 (1H, 3H) -pyrimidinedione?
1-%5B%5B2-fluoro-6-%28trifluoromethyl%29phenyl%5Dmethyl%5D-5-iodo-6-methyl-2%2C4%281H%2C3H%29-pyrimidinedione is an organic compound. The main uses of this compound are as follows:
First, in the field of medicinal chemistry, it may have potential biological activity. Because it contains specific fluorine atoms and iodine atoms, fluorine atoms can enhance the lipophilicity of the compound, optimize its ability to pass through the biofilm, and thus more easily reach the target; iodine atoms can change the distribution of molecular electron clouds, or enhance the interaction with biological macromolecules, so it may become a lead compound for the development of new drugs. For example, for some specific disease-related receptors or enzymes, the structure of the compound can be modified, or high affinity and high selectivity inhibitors can be obtained for the treatment of cancer, inflammation and other diseases.
Second, in the field of pesticide chemistry, it may be used to create new pesticide raw materials. Fluorinated organic compounds often have good stability, biological activity and environmental compatibility. The structural characteristics of this compound may endow it with insecticidal, bactericidal or herbicidal activities. For example, through rational design and modification, pesticide products that are efficient and environmentally friendly to specific pests or pathogens may be developed, reducing the negative impact of traditional pesticides on the ecological environment.
Third, in the field of organic synthetic chemistry, this compound can be used as a key intermediate. Due to its complex structure and contains multiple reactive functional groups, such as iodine atoms, which can participate in the coupling reaction of halogenated aromatics, pyrimidine dione rings and substituents on benzene rings can undergo various chemical transformations, providing the possibility for the construction of more complex organic molecules. Through organic synthesis, it can be derived into organic compounds with diverse structures, which can be used in many fields such as materials science and total synthesis of natural products.
What is the synthesis method of 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methyl-2,4 (1H, 3H) -pyrimidinedione?
To prepare 1 - [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] - 5-iodine-6-methyl-2,4 (1H, 3H) -pyrimidinedione, the following synthesis method can be followed.
First, 2-fluoro-6- (trifluoromethyl) benzyl halide and suitable pyrimidinedione derivatives are used as raw materials. In a suitable organic solvent, such as N, N-dimethylformamide (DMF) or acetonitrile, a base, such as potassium carbonate or sodium carbonate, is added. The function of the base is to capture the active hydrogen on the pyrimidine dione derivative and generate nucleophilic negative ions. This negative ion can undergo nucleophilic substitution reaction with 2-fluoro-6- (trifluoromethyl) benzyl halide to form a carbon-carbon bond, so as to obtain the precursor of the target product.
When reacting, pay attention to temperature control. Generally speaking, the reaction can be carried out at room temperature to moderate heating conditions. Heating up can promote the reaction rate to accelerate, but too high temperature, or cause side reactions to breed. And the reaction system needs to be stirred evenly to facilitate full contact of the raw materials and improve the reaction efficiency.
After the reaction is completed, the conventional separation and purification methods can be used to obtain pure products. First, the organic solvent is removed by vacuum distillation. Then, by column chromatography, a suitable silica gel is selected as the stationary phase, and an appropriate proportion of petroleum ether and ethyl acetate mixture is used as the mobile phase for separation. After testing and confirming that it is the target product, it can be further recrystallized to increase the purity of the product.
During the synthesis process, attention should also be paid to the purity of the raw materials and the precise control of the reaction conditions. Raw materials with poor purity may lead to the formation of impurities; the reaction conditions are slightly deviated, or the yield and purity of the product may be affected. Therefore, when operating, be cautious to achieve the best synthesis.
What are the physical and chemical properties of 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methyl-2,4 (1H, 3H) -pyrimidinedione?
1-%5B%5B2-fluoro-6-%28trifluoromethyl%29phenyl%5Dmethyl%5D-5-iodo-6-methyl-2%2C4%281H%2C3H%29-pyrimidinedione is an organic compound. Its physical and chemical properties are quite important, and it is related to the application of this compound in many fields.
Looking at its appearance, it is often in solid form, but the specific color state may vary depending on the purity and preparation method. As for the melting point, this is one of the important physical properties, and the melting point can reflect the strength of the intermolecular force. The exact melting point value can be determined by experiments.
The solubility is also critical, and it varies in different solvents. Generally speaking, organic solvents such as dichloromethane and chloroform may have good solubility to it, because their molecular structure contains hydrophobic groups, which interact strongly with organic solvents. In water, because of the difference between the polarity of water molecules, the solubility may be poor.
In terms of stability, the iodine atoms in the molecule are relatively active, or the compounds are unstable under specific conditions. When exposed to light, heat or specific reagents, the iodine atoms may undergo substitution reactions, which affect the structure and properties of the compounds.
In terms of chemical properties, the pyrimidine dione structure has a certain reactivity. The hydrogen atom on the nitrogen atom has a certain acidity and can react with bases to form corresponding salts. At the same time, the substituents on the aromatic ring, such as fluorine atom and trifluoromethyl, affect the electron cloud density of the aromatic ring, which in turn affects the electrophilic substitution reactivity of the aromatic ring.
The above physical and chemical properties are of great significance in the fields of medicinal chemistry and organic synthesis. In medicinal chemistry, it is concerned with the absorption, distribution, metabolism and excretion of drugs; in organic synthesis, it provides the basis for the selection of reaction conditions and product control.
What are the market prospects for 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methyl-2,4 (1H, 3H) -pyrimidinedione?
1-%5B%5B2-fluoro-6-%28trifluoromethyl%29phenyl%5Dmethyl%5D-5-iodo-6-methyl-2%2C4%281H%2C3H%29-pyrimidinedione, this is an organic compound. In terms of market prospects, it seems to be at the moment of exploration and development.
At present, this compound may have potential value in the field of scientific research. The field of organic synthesis, with its unique structure, may be a key intermediate for the synthesis of novel and complex organic molecules, assisting chemists to create compounds with other properties. In the field of pharmaceutical research and development, it may have potential biological activity. After in-depth research, or therapeutic targets for specific diseases can be found, it is expected to be developed into innovative drugs.
However, its marketing activities also have challenges. The synthesis process may be complex and expensive, limiting mass production, resulting in its low market circulation and high price, which is not conducive to wide application. And the research on its biological activity and safety may not be sufficient, and a large amount of experimental data is required to support it, which is time-consuming and labor-intensive, delaying the commercialization process.
Although it has potential, in order to achieve a wide range of market applications, researchers need to improve the synthesis process, reduce costs and increase efficiency, and deeply explore biological activity and safety, in order to promote it from the laboratory to the broad market.
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