What is the chemical structure of Benzyl [1- [4- [ (4-Fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1, 6-dihydropyrimidin-2-yl] -1-methylethyl] carbamate?

This is an organic compound named benzyl [1- [4- [ (4-fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-2-yl] -1-methethyl] carbamate.

Look at its structure, the main chain is a pyrimidine ring, and the 2-position of the pyrimidine ring is connected to a carbamate-containing structural fragment. This fragment is composed of benzyl and 1-methyl-1- [4- [ (4-fluorobenzyl) amino] carbonyl] -5-hydroxy-6-oxo-1,6-dihydropyrimidine-2-yl] ethyl.

Specifically, the pyrimidine ring has methyl substitution at 1-position, hydroxy at 5-position, and carbonyl at 6-position. The 4-position is connected to the (4-fluorobenzyl) amino group by a carbonyl group to form a urea structure. In the side chain connected to the 2-position of the pyrimidine ring, the carbon atom connected to the pyrimidine ring is tert-carbon, which is connected with the structure of methyl and benzyl carbamate. In the benzyl carbamate part, the benzyl group is connected to the nitrogen atom of the urethane, and the carbonyl oxygen of the urethane is connected to the tert-carbon of the side chain. Such a complex structure may have unique properties and potential applications in the fields of organic synthesis and medicinal chemistry.

What are the physical properties of Benzyl [1- [4- [ (4-Fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1, 6-dihydropyrimidin-2-yl] -1-methylethyl] carbamate?

Benzyl [1- [4- [[ (4-fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-2-yl] -1-methylethyl] carbamate, this compound has many physical properties. Its appearance is often white to off-white crystalline powder, and when viewed in sunlight, it resembles fine snow, with fine texture and soft luster.

In terms of melting point, it is about 160-165 ° C. When heated to this temperature range, the lattice structure of the compound begins to change, the intermolecular force weakens, and gradually transitions from a solid state to a liquid state, just like the winter snow melting in the warm sun. < Br >
The solubility is quite unique. It is slightly soluble in water, but soluble in some organic solvents, such as dichloromethane, N, N-dimethylformamide. In water, its molecules have a weak interaction with water molecules, making it difficult to form a homogeneous dispersion system; in organic solvents, it can be well dispersed by virtue of the principle of similar phase dissolution.

In terms of stability, it is relatively stable in dry and cool environments. In case of high temperature, high humidity or strong light, it is easy to decompose. High temperature intensifies the movement of molecules and makes chemical bonds easy to break; in high humidity environments, water molecules may participate in the reaction; strong light provides energy, triggering photochemical reactions and causing structural changes.

What are the main uses of Benzyl [1- [4- [ (4-Fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1, 6-dihydropyrimidin-2-yl] -1-methylethyl] carbamate?

The Chinese name of this compound is benzyl [1- [4- [ (4-fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-2-yl] -1-methylethyl] carbamate. Its main uses are usually in the field of medicinal chemistry. In the field of drug development, compounds with such structures may have specific biological activities and can be used as lead compounds for researchers to further explore their interactions with specific targets in organisms. Through the study of its structure and activity, new pharmacological mechanisms may be discovered, and innovative drugs for the treatment of specific diseases may be developed. Furthermore, in the field of organic synthetic chemistry, it may serve as a key intermediate, through various organic reactions, derived compounds with more complex and diverse structures, contributing to the development of organic synthetic chemistry. In this way, this compound may play an important role in promoting the progress of medicine and organic synthetic chemistry.

What are the synthesis methods of Benzyl [1- [4- [ (4-Fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1, 6-dihydropyrimidin-2-yl] -1-methylethyl] carbamate?

To prepare benzyl [1 - [4 - [ (4 - fluorobenzyl) amino] carbonyl] -5 - hydroxy - 1 - methyl - 6 - oxo - 1,6 - dihydropyrimidine - 2 - yl] -1 - methethyl] carbamate, according to the following ancient method.

The first required raw materials, 4 - fluorobenzyl amine, corresponding pyrimidine derivatives, etc., all need to be pure. First, take an appropriate amount of pyrimidine derivatives, place them in a clean reactor, and dissolve them in a suitable organic solvent, such as dichloromethane or N, N-dimethylformamide, to form a homogeneous solution.

Slowly drop 4-fluorobenzyl amine into the above solution, stirring at the same time, and control the temperature to a suitable range, or between room temperature and 50 degrees Celsius, depending on the reactivity. Add it dropwise and stir for a few more times to make the reaction sufficient. This step aims to make 4-fluorobenzyl amine and the specific group of pyrimidine derivatives undergo nucleophilic substitution or condensation reaction to form a key intermediate. < Br >
Intermediates are obtained. Complex the system and add benzyl chloroformate or its equivalent active ester reagent. At the same time, an appropriate amount of base, such as triethylamine or potassium carbonate, is added to assist the reaction. This step also requires temperature control and stirring. During the reaction, the base can promote the reaction of the amino group with the carbonyl group of the benzyl chloroformate to form the urethane structure of the target product.

After the reaction is completed, the reaction solution is treated by conventional separation and purification methods. Or by extraction, the product is enriched in the organic phase with a suitable organic solvent and the aqueous phase for multiple extractions. Then by column chromatography, appropriate silica gel and eluent are selected to separate impurities to obtain pure benzyl [1- [4- [ (4-fluorobenzyl) amino] carbonyl] -5 -hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-2-yl] -1 -methethyl] carbamate. Each step requires following the procedures and observing the reaction conditions before the preparation of this compound can be obtained.

How safe is Benzyl [1- [4- [ (4-Fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1, 6-dihydropyrimidin-2-yl] -1-methylethyl] carbamate?

This is a compound named benzyl [1- [4- [ (4-fluorobenzyl) amino] carbonyl] -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-2-yl] -1-methethyl] carbamate. Its safety is related to many aspects and needs to be carefully investigated.

At the end of the chemical structure, such complex organic compounds have a unique structure or endow special chemical activity. Intramolecular diverse functional groups, such as carbamate, pyrimidine ring, etc., may react chemically with other substances or change due to external conditions. If the operation is not careful, it may be potentially dangerous.

As far as toxicity is concerned, it is difficult to determine its exact toxicity without sufficient research data. However, compounds with similar structures, carbamate parts may have certain neurotoxicity, reproductive toxicity, etc. However, this is only speculation, and detailed experimental data is still required.

At the level of environmental safety, if this substance enters the environment, its complex structure may make it difficult to degrade, or accumulate in the environment, which may affect the ecosystem and have negative effects on animals, plants and microorganisms.

In the process of use, its production, storage and transportation need to be properly handled. During production, the reaction conditions need to be precisely controlled to prevent the formation of dangerous products caused by side reactions. Storage should pay attention to factors such as temperature and humidity, light and other factors to avoid deterioration. Transportation needs to follow relevant regulations to prevent leakage.

In summary, although the exact safety of this compound cannot be determined, in view of its complex structure and related chemical properties, it is necessary to adhere to a scientific and rigorous attitude in all aspects, conduct in-depth research, and handle it carefully to ensure the safety of personnel and the environment to the greatest extent.