N 4 Fluorobenzyl 5 Hydroxy 1 Methyl 2 1 Methyl 1 5 Methyl 1 3 4 Oxadiazol 2 Yl Carbonyl Amino Ethyl 6 Oxo 1 6 Dihydropyrimidine 4 Carboxamide
Fluorine Difluoride Fluorobenzene Fluorobenzyl Trifluorotoluene
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Chemical Formula C20H22FN5O6
Molar Mass 447.42 g/mol
Physical State Solid (predicted)
Appearance Off - white to light yellow solid (predicted)
Solubility Low solubility in water, more soluble in organic solvents like DMSO, DMF (predicted based on its chemical structure)
Pka No public data, but the presence of hydroxyl and amide groups implies possible acidic and basic behavior
Logp Positive value, indicating lipophilicity (predicted due to the presence of aromatic and alkyl groups)
Density No public data, but estimated to be in the range of 1.3 - 1.5 g/cm³ based on similar organic compounds
Chemical Name N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
FAQ

What is the chemical structure of this product N- (4-fluorobenzyl) -5-hydroxy-1-methyl-2- (1-methyl-1- { (5-methyl-1,3,4-oxadiazole-2-yl) carbonyl] amino} ethyl) -6-oxo-1,6-dihydropyrimidine-4-formamide?

This is a question about the structure of a complex compound. The name of the compound is N- (4-cyano) -5-fluoro-1-methyl-2- (1-methyl-1- {[ (5-methyl-1,3,4-thiadiazole-2-yl) amino] carbonyl} ethyl) -6-oxo-1,6-dihydropyrimidine-4-carboxylate ethyl ester.

To clarify its chemical structure, it needs to be analyzed step by step according to the name. "N- (4-cyano) " shows that the nitrogen atom is attached to a group containing a cyanide group, and the cyanyl group is -CN. "5-fluoro" table has a fluorine atom substituted at a specific position. " 1-Methyl "refers to the presence of methyl-CH at a specific position." 2- (1-methyl-1- {[ (5-methyl-1,3,4-thiadiazole-2-yl) amino] carbonyl} ethyl) "This part is quite complicated, first look at" 1-methyl-1- {[ (5-methyl-1,3,4-thiadiazole-2-yl) amino] carbonyl} ethyl ", one carbon on ethyl-C ² H is connected to a methyl group, and the other carbon is connected to a structure. This structure is 5-methyl-1,3,4-thiadiazole-2-yl connected to a carbonyl group through an amino group. Thiadiazole is a five-membered heterocyclic ring containing sulfur and nitrogen, and 5-methyl, that is, thiadiazole ring, has methyl at the 5th position. "6-oxo-1,6-dihydropyrimidine-ethyl 4-formate", pyrimidine is a six-membered heterocyclic ring containing two nitrogen atoms, 1,6-dihydro Table 1 and 6 are double-bond hydrogenation, 6-oxo means that the 6-oxygen atom is connected by double bond, and ethyl 4-formate table 4 is connected with -COOC -2 H group.

In summary, this compound consists of cyano, fluorine atom, multiple methyl groups, thiadiazole ring, pyrimidine ring and ethyl formate group, etc., which form a complex chemical structure according to specific connection methods.

What are the main physical properties of N- (4-fluorobenzyl) -5-hydroxy-1-methyl-2- (1-methyl-1- { (5-methyl-1,3,4-oxadiazole-2-yl) carbonyl] amino} ethyl) -6-oxo-1,6-dihydropyrimidine-4-formamide?

4-Hydroxybenzyl-5-amino-1-methyl-2 - (1-methyl-1-{ (5-methyl-1,3,4-oxadiazole-2-yl) benzyl] urea} ethyl) - 6-oxo-1,6-dihydropyrimidine-4-ethyl formate, which has general physical properties. Its appearance is often white to off-white crystalline powder, due to the orderly arrangement of molecules and light scattering characteristics. The melting point of

is in a specific range, about [X] ° C - [X] ° C. This value is determined by the intermolecular force and the lattice energy. When heated, this energy is required to destroy the lattice and cause it to melt.

In terms of solubility, it has a certain solubility in organic solvents such as methanol and ethanol, because these solvents and compounds can form hydrogen bonds or van der Waals force interactions to enhance dissolution; but the solubility in water is limited, because the proportion of hydrophobic parts of molecules is large, and the force between water molecules is weak.

In terms of stability, it is relatively stable at room temperature and pressure, because of the high chemical bond energy in the molecular structure, it is not easy to break spontaneously. However, in the case of strong acids, strong bases or high temperature environments, the structure will be damaged, hydrolysis, ring opening and other reactions will occur, because specific functional groups such as ester groups and urea groups are sensitive to acids and bases.

These physical properties are of great significance for their applications in drug development, chemical production and other fields. For example, in drug development, solubility affects drug absorption, and stability is related to drug storage life and quality.

N- (4-fluorobenzyl) -5-hydroxy-1-methyl-2- (1-methyl-1- { (5-methyl-1,3,4-oxadiazole-2-yl) carbonyl] amino} ethyl) -6-oxo-1,6-dihydropyrimidine-4-formamide in which areas are used?

This is about N - (4 - hydroxybutyl) - 5 - guanidine - 1 - methyl - 2 - (1 - methyl - 1 - {[ (5 - methyl - 1,3,4 - oxadiazole - 2 - yl) enyl] guanidine} ethyl) - 6 - oxo - 1,6 - dihydropyridine - 4 - ethyl formate in which areas have applications.

According to "Tiangong Kaiwu", although there is no direct record of this specific compound, in today's world, this compound may have great potential in the field of medicine. Because it contains specific groups in its structure or has the ability to regulate biological activity, it can be used as a lead compound for drug development. After modification and optimization, it may become a good medicine for treating specific diseases, such as some diseases caused by imbalance of biological activity.

Furthermore, in the field of materials science, it may have potential uses. Due to its molecular structure, it is endowed with specific physical and chemical properties, or it can be used to prepare functional materials, such as materials with special adsorption and catalytic properties, to play an effect in separation and catalytic reactions.

may also emerge in the field of agriculture. Due to its unique effects on plant growth, pest control, etc., after research and development, it may become a new type of plant growth regulator, pesticide, etc., to help increase agricultural production and pest prevention and control. Although this thing is not covered in Tiangong Kaiwu, today, according to its structure and nature, it may be applied in many of the above fields.

What is the synthesis method of N- (4-fluorobenzyl) -5-hydroxy-1-methyl-2- (1-methyl-1- { (5-methyl-1,3,4-oxadiazole-2-yl) carbonyl] amino} ethyl) -6-oxo-1,6-dihydropyrimidine-4-formamide?

To prepare 4-hydroxybutyl-5-fluoro-1-methyl-2 - (1-methyl-1 - { (5-methyl-1,3,4-oxadiazole-2-yl) alkynyl} ethyl) -6-oxo-1,6-dihydropyridine-4-ethyl formate, the following ancient method can be used:

First, appropriate starting materials can be obtained, including nitrogen-containing heterocyclic precursors with specific structures and alkyne halides containing specific substituents. The reaction system is placed in a suitable reaction vessel, and an appropriate amount of alkali, such as potassium carbonate, is added to create an alkaline environment, which is conducive to the nucleophilic substitution reaction. The solvent used can be selected from polar aprotic solvents such as N, N-dimethylformamide (DMF), because it can dissolve the raw materials well and promote the reaction process.

Heat the reaction system to an appropriate temperature, about 80-100 ° C, to maintain this temperature for the reaction. In this process, the hydrogen atoms specifically located in the nitrogen-containing heterocyclic precursor are removed by the action of a base to form carbon negative ions. This carbon negative ion acts as a nucleophilic reagent to attack the carbon atoms connected by the halogen atoms in the alkyne halide, and a nucleophilic substitution reaction occurs to form a carbon-carbon bond.

When the reaction is carried out to a certain extent, the reaction progress is monitored by means of TLC (thin layer chromatography), etc. After confirming that the reaction is basically completed, the reaction system is cooled. Subsequently, the reaction solution is poured into an appropriate amount of water and extracted with an organic solvent such as ethyl acetate to separate the organic phase. After the organic phase is dried with a desiccant such as anhydrous sodium sulfate, the organic solvent is removed by distillation under reduced pressure to obtain a crude product.

The crude product is purified by column chromatography and other methods. Appropriate eluents, such as the mixed solvent of petroleum ether and ethyl acetate, are selected. By adjusting the ratio of the two, the target product can be effectively separated and purified. Finally, pure 4-hydroxybutyl-5-fluoro-1-methyl-2 - (1-methyl-1 - {[ (5-methyl-1,3,4-oxadiazole-2-yl) alkenyl] alkynyl} ethyl) -6-oxo-1,6-dihydropyridine-4 - Ethyl formate.

What is the market prospect of N- (4-fluorobenzyl) -5-hydroxy-1-methyl-2- (1-methyl-1- { (5-methyl-1,3,4-oxadiazole-2-yl) carbonyl] amino} ethyl) -6-oxo-1,6-dihydropyrimidine-4-formamide?

Nowadays, there are N - (4-hydroxybenzyl) - 5-fluoro-1-methyl-2 - (1-methyl-1 - { (5-methyl-1,3,4-oxadiazole-2-yl) enyl] subunit} ethyl) -6-oxo-1,6-dihydropyridine-4-formic acid What is the market prospect?

I look at this product, which may have considerable prospects in today's pharmaceutical and chemical fields. Today, with the rapid development of medicine, there is a great demand for novel compounds. This compound is unique in structure, or has potential efficacy in the treatment of specific diseases, such as some intractable diseases.

From the perspective of pharmaceutical chemistry, its complex structure endows a variety of activity checking points. Groups such as 4-hydroxybenzyl and 5-fluoro groups may interact with specific targets in organisms to precisely regulate physiological and biochemical processes. For example, 5-fluoro groups can often enhance the lipophilicity of compounds, improve their permeability in biofilms, and thereby enhance their efficacy.

Furthermore, in the pharmaceutical industry, if this compound can be synthesized efficiently, with stable quality and controllable cost, it is expected to be converted into actual drugs. At present, many pharmaceutical companies are committed to developing new drugs with unique structures in order to seize market heights. If this compound can demonstrate outstanding efficacy, it can attract the attention of pharmaceutical companies and invest resources in R & D and production.

However, it is also necessary to face up to challenges. The road to new drug development is full of obstacles. Preclinical research requires a comprehensive evaluation of its safety and effectiveness, which consumes a lot of time and resources. In the clinical stage, it is even more necessary to strictly follow regulations and go through multi-phase trials to ensure the efficacy and safety of the human body. Only by successfully passing many tests can it be successfully launched and occupy a place in the market.

In summary, N- (4-hydroxybenzyl) - 5-fluoro-1-methyl-2 - (1-methyl-1 - { (5-methyl-1,3,4-oxadiazole-2-yl) enyl] subunit} ethyl) -6-oxo-1,6-dihydropyridine-4-formic acid has potential, but its market prospects still depend on many factors such as R & D process, regulatory approval and market competition.