What is the chemical structure of 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methylpyrimidine-2, 4-dione?

1-%5B%5B2-fluoro-6-%28trifluoromethyl%29phenyl%5Dmethyl%5D-5-iodo-6-methylpyrimidine-2%2C4-dione is an organic compound whose chemical structure can be explained by the name.

The core of this compound is the structure of pyrimidine-2,4-dione, which is like a stable cornerstone, which lays the basic structure of the whole molecule. At the 6th position of the pyrimidine ring, there is a methyl group attached, which is like adding a decoration to the cornerstone; at the 5th position, there is an iodine atom, which adds unique properties to the structure.

Furthermore, 1 position is connected to 2-fluoro-6- (trifluoromethyl) phenyl by methylene. In this phenyl group, there are fluorine atoms at the 2nd position and trifluoromethyl at the 6th position. The presence of fluorine atoms and trifluoromethyl groups greatly affects the physical and chemical properties of the molecule. Fluorine atoms have strong electronegativity, which can affect the polarity and electron cloud distribution of molecules; the introduction of trifluoromethyl groups greatly increases the hydrophobicity of molecules, and affects the reactivity of molecules due to their unique electronic effects.

Overall, the chemical structure of 1-%5B%5B2-fluoro-6-%28trifluoromethyl%29phenyl%5Dmethyl%5D-5-iodo-6-methylpyrimidine-2%2C4-dione is complex and delicate, and the interaction of various parts endows the compound with unique chemical properties and potential applications.

What are the main uses of 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methylpyrimidine-2, 4-dione?

1 - [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] - 5-iodine-6-methylpyrimidine-2,4-dione, which has a wide range of uses. In the field of medicine, it is often used as a key intermediate to help create new drugs. With its unique chemical structure and various chemical reactions, medical researchers can construct compounds with specific biological activities, or can be used to fight a variety of diseases, such as tumors, inflammation, etc.

In the field of pesticides, it is also of great value. It can be used as a basic raw material to develop new pesticides, and by virtue of its chemical properties, it can inhibit or kill specific pests and pathogens, so as to improve crop yield and quality and ensure agricultural harvest.

In addition, in the field of materials science, it may participate in the synthesis of some functional materials. By adjusting the reaction conditions and synthesis paths, the materials are endowed with special properties such as optics and electricity, injecting new impetus into the development of materials science. In conclusion, 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] - 5-iodine-6-methylpyrimidine-2,4-dione has potential applications in many fields, acting as a key to open up new possibilities for innovation and development in various fields.

What are the physical properties of 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methylpyrimidine-2, 4-dione?

1-%5B%5B2-fluoro-6-%28trifluoromethyl%29phenyl%5Dmethyl%5D-5-iodo-6-methylpyrimidine-2%2C4-dione is an organic compound. According to its physical properties, it may be in a solid state at room temperature and pressure. Its structure contains complex aromatic rings and heterocyclic systems, and the intermolecular force is strong, resulting in a high melting point.

The appearance of this substance may be white to light yellow powder, which is due to the characteristics of the atoms and chemical bonds it contains on light reflection and absorption. Its density may be greater than that of water, because there are many heavy atoms such as fluorine and iodine in the molecule, which increases the mass per unit volume.

When it comes to solubility, the solubility in water is extremely low, because its molecular polarity is small, and the force between water molecules is weak. However, in organic solvents, such as dichloromethane, chloroform, acetone, etc., there may be a certain solubility, because its structure and organic solvent molecules can form van der Waals forces or other weak interactions.

Its volatility is very low. Due to the strong intermolecular forces, molecules need high energy to escape from the liquid or solid surface to form gaseous molecules. The stability of this compound is quite good. The aromatic rings and heterocycles in the molecular structure endow its conjugated system with enhanced structural stability and are not easily decomposed by heat, light, air and other factors.

What are the synthesis methods of 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methylpyrimidine-2, 4-dione?

To prepare 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] - 5-iodine-6-methylpyrimidine-2,4-dione, the common method is as follows.

First, you can start from the parent pyrimidinedione. First, react a suitable methylating agent with pyrimidinedione and introduce 6-methyl. For example, in the presence of a base such as potassium carbonate, iodomethane and pyrimidinedione are heated in a suitable organic solvent such as N, N-dimethylformamide (DMF) to successfully methylate the 6-position. Next, 5-iodine is introduced. Iodine is often combined with an appropriate oxidizing agent, such as hydrogen peroxide or nitric acid, and reacts with methylated pyrimidinedione in a solvent such as acetic acid to achieve a 5-position iodine substitution.

Finally, 1 - [2-fluoro-6- (trifluoromethyl) phenyl] methyl is introduced. The target product can be obtained by first reacting 2-fluoro-6- (trifluoromethyl) benzyl halide, such as 2-fluoro-6- (trifluoromethyl) benzyl chloride, with the precursor in a solvent such as anhydrous tetrahydrofuran under the action of a base such as sodium hydride.

Second, another strategy is to start with fluorobenzene derivatives. First, 2-fluoro-6- (trifluoromethyl) toluene is halogenated, and N-bromosuccinimide (NBS) is brominated at the benzyl position in the presence of an initiator, such as benzoyl peroxide, to obtain 2-fluoro-6- (trifluoromethyl) benzyl bromide.

At the same time, the structure of pyrimidinedione is constructed. For example, diethyl malonate and formamidine are condensed under the action of sodium alcohol, such as sodium ethanol, to obtain 6-methylpyrimidinedione. This pyrimidinedione first interacts with a base to form a negative ion, and then reacts with the above-obtained 2-fluoro-6- (trifluoromethyl) benzyl bromide to introduce the benzyl moiety.

Finally, through the iodine substitution reaction, as described above, the iodine and oxidant system realizes 5-iodine substitution to obtain 1 - [2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodine-6-methylpyrimidine-2,4-dione.

How safe is 1- [[2-fluoro-6- (trifluoromethyl) phenyl] methyl] -5-iodo-6-methylpyrimidine-2, 4-dione?

1-%5B%5B2-fluoro-6-%28trifluoromethyl%29phenyl%5Dmethyl%5D-5-iodo-6-methylpyrimidine-2%2C4-dione is an organic compound. Its safety is related to many factors and needs to be studied in detail.

First of all, the chemical structure of the compound contains fluorine, iodine and trifluoromethyl groups, each of which has its own properties. Fluorine atoms have high electronegativity, or cause changes in the biological activity and reactivity of the compound. The relatively large iodine atom may affect the spatial configuration and physical properties of the molecule, and may also be involved in chemical reactions and play a role in the metabolic process of organisms. Trifluoromethyl is a strong electron-absorbing group, which can change the polarity and lipophilicity of the compound, and has a great impact on its pharmacological activity and environmental behavior.

Due to the lack of conclusive experimental data, it can only be deduced from compounds with similar structures. Halogen-containing compounds are often toxic to a certain extent. For example, some fluorine-containing and iodine-containing organic matter may cause damage to the liver, kidneys and other important organs of organisms. And such compounds may be bioaccumulative. If released in the environment, they are transmitted through the food chain, or cause higher trophic organisms to be affected.

Talking about the environmental impact, the degradation of this compound in the environment is unknown. However, halogen-containing organic compounds are generally difficult to degrade, or remain in the environment for a long time. If they enter water bodies, soil, or affect the balance of ecosystems, they will be toxic to microorganisms, plants and other organisms, and destroy the ecological environment.

Also referred to as safety assessment, in order to know its safety, comprehensive experiments must be carried out. Acute toxicity experiments can detect the short-term toxic effects on experimental animals, and chronic toxicity experiments can detect the effects of long-term low-dose exposure. In addition, mutagenicity, teratogenicity and carcinogenicity experiments are also indispensable to clarify their effects on the genetic material of organisms and embryonic development.

In summary, the safety of 1-%5B%5B2-fluoro-6-%28trifluoromethyl%29phenyl%5Dmethyl%5D-5-iodo-6-methylpyrimidine-2%2C4-dione is latent risk due to structural characteristics, but the exact conclusion needs to be supported by rigorous experimental data before a comprehensive and accurate conclusion can be made.