Chemical Formula | C16H20FN3O4 |
Molecular Weight | 337.35 |
Appearance | Solid (predicted) |
Melting Point | No data available |
Boiling Point | No data available |
Solubility In Water | Low (predicted) |
Logp | 1.88 (predicted) |
Pka | No data available |
Flash Point | No data available |
Density | No data available |
Chemical Formula | C16H20FN3O4 |
Molecular Weight | 337.35 |
Physical State | Solid (predicted) |
Solubility In Water | Low (predicted) |
Logp | 2.28 (predicted) |
What is the chemical structure of 2- (1-amino-1-methylethyl) -N- (4-fluorobenzyl) -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-formamide?
The compound is named 2- (1-amino-1-methylethyl) -N- (4-fluorophenyl) -5-methoxy-1-methyl-6-oxo-1,6-dihydropyridine-4-formamide, and its chemical structure is analyzed as follows:
The core of this structure is a pyridine ring with multiple substituents on the pyridine ring. At position 2 of the pyridine ring, a (1-amino-1-methylethyl) group is connected, which consists of an ethyl group, and the carbon atom at position 1 of the ethyl group is connected to an amino group and a methyl group. In the 4th position of the pyridine ring, a formamide group is connected. In the formamide group, the carbonyl carbon is connected to the pyridine ring, and the nitrogen atom is connected (4-fluorophenyl). This (4-fluorophenyl) is a benzene ring replaced by a fluorine atom at the 4th position. The 5th position of the pyridine ring is connected to a methoxy group, that is, a methoxy group is connected to the pyridine ring through an oxygen atom. The 6th position of the pyridine ring is connected to an oxygen atom, and a double bond is formed between the 1st and 6th positions of the pyridine ring to form a 1,6-dihydropyridine-6-one structure, while the 1st position of the pyridine ring The whole molecule forms 2- (1-amino-1-methylethyl) -N- (4-fluorophenyl) -5-methoxy-1-methyl-6-oxo-1,6-dihydropyridine-4-formamide through the connection of these groups at specific positions on the pyridine ring. The unique chemical structure of each substituent gives it specific chemical and physical properties, which may be of great significance in the fields of organic synthesis and medicinal chemistry.
What are the main uses of 2- (1-amino-1-methylethyl) -N- (4-fluorobenzyl) -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-formamide?
2-%281-%E6%B0%A8%E5%9F%BA-1-%E7%94%B2%E5%9F%BA%E4%B9%99%E5%9F%BA%29-N-%284-%E6%B0%9F%E8%8B%84%E5%9F%BA%29-5-%E7%BE%9F%BA-1-%E7%94%B2%E5%9F%BA-6-%E6%B0%A7%E4%BB%A3-1%2C6-%E4%BA%8C%E6%B0%A7%E5%98%A7%E5%95%B6-4-%E7%94%B2%E9%85%B0%E8%83%BA, this is a rather complex organic compound. It has a wide range of main uses and is often a key intermediate in the field of medicinal chemistry.
In the process of drug development, its unique chemical structure can be used to construct molecules with specific biological activities. For example, because it contains specific amino groups, alkyl groups and other groups, it can precisely bind to specific targets in organisms. Therefore, when designing drugs for specific diseases, such as tumors and cardiovascular diseases, it can be used as a starting material to derive therapeutic drug molecules through a series of chemical reactions.
In the field of materials science, it is also of great significance. Because its structure gives certain chemical stability and reactivity, it can be used as a functional monomer to participate in the synthesis of polymer materials. Through polymerization, it can be introduced into the main chain or side chain of the polymer, giving the material unique properties such as special solubility, thermal stability or optical properties, providing the possibility for the development of new high-performance materials.
In the field of organic synthetic chemistry, as an important synthetic block, with its multi-functional group properties, it can carry out a variety of chemical reactions, such as nucleophilic substitution, electrophilic addition, etc., to construct more complex organic molecular structures, helping organic synthetic chemists to expand the synthesis route and prepare various novel organic compounds.
What are the synthesis methods of 2- (1-amino-1-methylethyl) -N- (4-fluorobenzyl) -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-formamide?
To prepare 2- (1-hydroxy-1-methylethyl) - N- (4-chlorophenyl) - 5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-4-formate ethyl ester, there are many synthesis methods, and the following are common methods.
First, the pyridine derivative containing the corresponding substituent is used as the starting material. First, the pyridine ring is modified, and the specific position of the pyridine ring is halogenated by a suitable halogenation reagent, and the halogen atom is introduced for subsequent nucleophilic substitution reaction. For example, a halogenating agent reacts with a pyridine derivative in a suitable solvent and reaction conditions to precisely locate the halogen substitution check point.
Furthermore, through the nucleophilic substitution reaction, key substituents are introduced. A nucleophilic reagent containing hydroxyl, methyl and other substituents reacts with a halogenated pyridine derivative under alkali catalysis to form a carbon-carbon bond or a carbon-heteroatomic bond. The type and dosage of bases, reaction temperature and time, etc., all have a great impact on the reaction process and yield, and need to be carefully regulated.
In addition, carbonylation is also an important step. Carbon monoxide and suitable catalysts are used to carbonylate specific intermediates to construct the carbonyl structure of the target molecule. In this process, the choice of catalyst, carbon monoxide pressure and the pH of the reaction system all need to be carefully considered.
Another method is to build a pyridine ring as a starting strategy. Small molecules with suitable substituents are cycled to form a pyridine ring. For example, compounds containing double bonds, amino groups, carbonyl groups and other functional groups are catalyzed by acidic or basic catalysis to undergo intramolecular cyclization to build a pyridine parent nucleus, and then gradually introduce other substituents.
During the synthesis process, each step of the reaction requires attention to the optimization of reaction conditions, the separation and purification of intermediates, in order to improve the purity and yield of the target product. Factors such as reaction solvent, temperature, catalyst and reactant ratio need to be explored and optimized repeatedly to achieve the ideal synthesis effect.
What are the physicochemical properties of 2- (1-amino-1-methylethyl) -N- (4-fluorobenzyl) -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-formamide?
2-%281-%E6%B0%A8%E5%9F%BA-1-%E7%94%B2%E5%9F%BA%E4%B9%99%E5%9F%BA%29-N-%284-%E6%B0%9F%BA%E8%8B%84%E5%9F%BA%29-5-%E7%BE%9F%BA%E5%9F%BA-1-%E7%94%B2%E5%9F%BA-6-%E6%B0%A7%E4%BB%A3-1%2C6-%E4%BA%8C%E6%B0%A7%E5%98%A7%E5%95%B6-4-%E7%94%B2%E9%85%B0%E8%83%BA, this is a name-related expression of chemical substances. Due to the complex and professional expression, it is difficult to know exactly what it refers to, but we can try our best to analyze its possible properties from a general chemical point of view.
From the structure speculation, it contains amino, methyl, ethyl and other groups, and the presence of nitrogen atoms and oxygen atoms will affect its chemical activity. Usually contains amino groups, so that the substance may have a certain alkalinity and can react with acids to form salts. Alkyl groups such as methyl and ethyl are relatively stable and contribute to the overall fat solubility of the molecule, which may make the substance have better solubility in organic solvents. The oxygen generation structure in the
molecule may involve the change of oxidation state, and has certain oxidation or reduction properties, which can participate in oxidation-reduction reactions. As for its physical properties, the presence of a variety of different groups may make the intermolecular forces more complex, affecting the melting point and boiling point. Generally speaking, molecules are relatively large and complex in structure, and may have a melting point and boiling point that are not too low. They may be solid or high-boiling liquid at room temperature. Its density varies depending on the type and number of atoms, making it difficult to accurately determine, but it is roughly in the same range as common organic compounds.
This substance contains a variety of groups due to its structure, and may be used as an important intermediate in the field of organic synthesis to participate in various chemical reactions and build more complex organic molecules.
What are the potential applications of 2- (1-amino-1-methylethyl) -N- (4-fluorobenzyl) -5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-formamide in the field of medicine?
"2- (1-hydroxy-1-methylethyl) -N- (4-pyridyl) -5-fluoro-1-methyl-6-oxo-1,6-dihydropyrimidine-4-formamide", which is the name of the chemical substance. In the field of medicine, it may have many potential applications.
Gain contains specific chemical groups, such as pyridyl groups, fluorine atoms, amide groups, etc., which give it unique physical and chemical properties and the ability to interact with biological macromolecules.
In terms of its possible applications, one of them may be a lead compound for drug development. Pyridyl groups often have good biological activity and binding specificity, which can help the compound precisely target specific targets in organisms, such as proteins, enzymes or receptors. By interacting with the target, it may regulate abnormal physiological processes in organisms to achieve the purpose of treating diseases.
Second, the introduction of fluorine atoms can often enhance the lipid solubility of the compound, help it more easily penetrate the biofilm, and improve bioavailability. At the same time, fluorine atoms can change the electron cloud distribution of molecules, affect the stability and metabolic pathways of compounds, and then optimize the pharmacokinetic properties of drugs.
Third, the amide group, as a common pharmacophore, can participate in the formation of hydrogen bonds and enhance the binding force between the compound and the target. The structural properties of this compound may make it potentially active in the treatment of antibacterial, antiviral, antitumor and many other diseases.
If it is to be truly applied to the clinic, it needs to undergo a series of rigorous studies and experiments, including in vitro cell experiments and animal experiments, to investigate its safety, effectiveness and mechanism of action. Only through these many rigorous steps can it be expected to become a safe and effective therapeutic drug for the benefit of patients.