What is the chemical structure of (s) -ethyl 7-fluoro-1- (1-hydroxy-3-methylbutan-2-yl) -6-iodo-4-oxo-1, 4-dihydroquinoline-3-carboxylate?

The chemical structure of (s) -ethyl-7-fluoro-1- (1-hydroxy-3-methylbutyl-2-yl) -6-iodine-4-oxo-1,4-dihydroquinoline-3-carboxylic acid esters is a delicate and complex structure in the field of organic chemistry.

Looking at its structure, the main framework is quinoline derivatives. The quinoline ring is formed by fusing a benzene ring with a pyridine ring, which is the key structural unit of many drugs and biologically active molecules. In this compound, the 4-position oxygen atom of the quinoline ring forms a carbonyl structure, which imparts specific chemical activity and spatial conformation to the molecule, and plays an important role when interacting with other molecules, or through hydrogen bonding, electrostatic interaction and other forces. The introduction of the

6-position iodine atom significantly changes the molecular electron cloud distribution and steric hindrance. The iodine atom has a large atomic radius and electronegativity, which affects the molecular dipole moment and lipophilicity, or enhances its ability to bind to receptors, or affects the transmembrane transport properties of molecules. The existence of the

7-position fluorine atom should not be underestimated. Although the fluorine atom is small, its electronegativity is extremely high, which can significantly affect the physical and chemical properties of molecules. It may change the acidity and alkalinity of molecules and enhance molecular stability. In drug design, the introduction of fluorine atoms often improves the metabolic stability and bioavailability of drugs.

1-linked (1-hydroxy-3-methylbutyl-2-yl) group adds a side chain containing hydroxyl groups and methyl groups to the molecule. Hydroxy groups are hydrophilic and can participate in hydrogen bond formation, enhancing the interaction between molecules and biomacromolecules; methyl groups increase molecular hydrophobicity, affecting molecular solubility and distribution in biofilms. The ethyl carboxylate group at the position of

3 not only contains the chemical activity of the ester group, but also can undergo hydrolysis, alcoholysis and other reactions. Due to the spatial and electronic effects of the ethyl ester structure, it makes an important contribution to the activity and properties of the whole molecule. It can be enzymatic hydrolyzed in vivo to release the form of carboxylic acid with biological activity, which participates in the metabolic process in vivo.

In short, the chemical structure of this compound integrates a variety of functional groups, and the functional groups cooperate with each other to endow the molecule with unique physicochemical and biological activity properties, which may have potential application value in the fields of drug development and other fields.

What are the physical properties of (s) -ethyl 7-fluoro-1- (1-hydroxy-3-methylbutan-2-yl) -6-iodo-4-oxo-1, 4-dihydroquinoline-3-carboxylate?

(S) -ethyl-7-fluoro-1 - (1-hydroxy-3-methylbutyl-2-yl) -6-iodine-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ester, which is an organic compound. Its physical properties are quite important and are related to many practical applications.

Looking at its appearance, or in a white to off-white crystalline powder shape, this is one of the common organic compound appearance forms. The powder shape is conducive to the dispersion and reaction of the compound under specific scenarios. Its melting point is of great significance for identification and application. After fine determination, the melting point may be within a specific range, which can fluctuate slightly due to factors such as the purity of the compound. Knowing the melting point can precisely control the temperature during the synthesis and purification process to ensure the quality of the product.

Solubility is also a key physical property. In organic solvents, such as methanol, ethanol, dichloromethane, etc., or show a certain solubility. This property makes the compound significant in the solvent selection process of organic synthesis reactions and drug development. It can be used with the help of suitable solvents to promote the efficient progress of the reaction. In water, its solubility may be poor, and this difference helps to separate and purify the compound from aqueous solution.

In terms of density, an exact value can be obtained by scientific measurement. The characteristics of density are of guiding value for determining the dosage and estimating the volume change during the storage, transportation and mixing of compounds with other substances.

In addition, the stability of the compound cannot be ignored. Under normal environmental conditions, it may have certain stability, but it may be exposed to high temperature, strong light, specific chemical substances, etc., or chemical changes, resulting in structural changes, affecting its performance and use. Therefore, when storing, appropriate conditions need to be selected to maintain its physical and chemical stability.

The physical properties of this compound are like a key, opening up many possibilities for its application and research in organic synthesis, medicinal chemistry and other fields.

What is the synthesis method of (s) -ethyl 7-fluoro-1- (1-hydroxy-3-methylbutan-2-yl) -6-iodo-4-oxo-1, 4-dihydroquinoline-3-carboxylate?

To prepare (S) -ethyl-7-fluoro-1- (1-hydroxy-3-methylbutyl-2-yl) -6-iodine-4-oxo-1,4-dihydroquinoline-3-carboxylic acid esters, the method is as follows:

Take the appropriate starting material first, and proceed with the appropriate reaction sequence and conditions. Usually start with a compound containing quinoline structure. This compound may have some target structural fragments or need to be modified in multiple steps.

At the beginning of the reaction, iodine atoms can be introduced into the 6-position of quinoline by halogenation reaction. This step requires the selection of suitable halogenating reagents, such as iodine elements and appropriate catalyst combinations, to react in suitable solvents and temperatures. It is essential to control the reaction conditions to ensure the precise introduction of iodine atoms into the target position and to avoid over-halogenation or other side reactions.

Subsequently, a 1-position substitution reaction is carried out to access the (1-hydroxy-3-methylbutyl-2-yl) fragment. This may be achieved through reaction mechanisms such as nucleophilic substitution. (1-hydroxy-3-methylbutyl-2-yl) can be properly activated first, such as conversion to corresponding halogenates or sulfonates, etc., to enhance its electrophilicity and facilitate substitution with quinoline 1-position. During the reaction, the type and dosage of solvents and bases will affect the reaction efficiency and selectivity.

Furthermore, the carboxylic acid ester structure is constructed at the 3-position. Usually the corresponding carboxylic acid or its derivative and ethanol are prepared under esterification conditions. If carboxylic acid is used as raw material, appropriate dehydrating agents and catalysts, such as concentrated sulfuric acid, p-toluenesulfonic acid, etc., can be used to heat to promote the esterification reaction. If more active derivatives such as acyl chloride are used as raw materials, the reaction conditions are relatively mild.

During the entire synthesis process, separation and purification operations such as column chromatography and recrystallization are often required after each step of the reaction to ensure the purity of the intermediate and final products. At the same time, it is necessary to use various analytical methods, such as nuclear magnetic resonance, mass spectrometry, etc., to monitor the reaction process and identify the structure of the product to ensure that the obtained product is the target product (S) -ethyl-7-fluoro-1 - (1-hydroxy-3-methylbutyl-2-yl) -6-iodine-4-oxo-1,4-dihydroquinoline-3-carboxylate.

What are the application fields of (s) -ethyl 7-fluoro-1- (1-hydroxy-3-methylbutan-2-yl) -6-iodo-4-oxo-1, 4-dihydroquinoline-3-carboxylate?

(S) -ethyl 7-fluoro-1- (1-hydroxy-3-methylbutyl-2-yl) -6-iodine-4-oxo-1,4-dihydroquinoline-3-carboxylate, this is an organic compound. Its application field is quite wide, in the field of medical chemistry, or has antibacterial activity, which can act on the physiological process of specific bacteria, interfere with their growth and reproduction, and then achieve the effect of treating infectious diseases.

In the field of drug development, it can be used as a lead compound. Scientists explore the relationship between structure and activity by modifying and modifying its structure, hoping to obtain new antibacterial drugs with better curative effect and less side effects. Because of its unique chemical structure, it may be able to precisely bind to specific targets in the body of pathogens, showing high selectivity and potency.

In the field of organic synthesis, this compound can be used as a key intermediate. Through various organic reactions, such as esterification, substitution, addition, etc., it can be converted into more complex and unique organic molecules, expanding the types and properties of organic compounds, and laying a material foundation for the development of materials science, biomedical engineering and other fields.

In the field of materials science, if it is specially designed and modified, it may give materials specific functions, such as antibacterial properties. By introducing it into the surface or substrate of materials, new materials with self-antibacterial ability can be prepared, which is very useful in fields with strict hygiene requirements such as medical hygiene and food packaging.

What is the market outlook for (s) -ethyl 7-fluoro-1- (1-hydroxy-3-methylbutan-2-yl) -6-iodo-4-oxo-1, 4-dihydroquinoline-3-carboxylate?

(S) -ethyl 7-fluoro-1- (1-hydroxy-3-methylbutyl-2-yl) -6-iodine-4-oxo-1,4-dihydroquinoline-3-carboxylate, which is a promising organic compound, emerging in the field of pharmaceutical and chemical industry.

Looking at its market prospects, in the field of pharmaceutical research and development, it may have biological activities such as antibacterial and anti-inflammatory. Because its structure is rich in special atoms such as fluorine and iodine, it can enhance the interaction between compounds and biological targets, so it is expected to become a key intermediate for new anti-infective drugs. At present, the global anti-infective drug market demand is huge and continues to grow, and the attention to the problem of antibiotic resistance is also increasing. The research and development of new antimicrobial drugs is imminent. The unique structure of this compound may provide new ideas for solving the problem of drug resistance, and its prospects in the pharmaceutical market are bright.

In the chemical industry, as a fine chemical intermediate, it can be used to synthesize organic compounds with more complex structures. With the chemical industry moving towards refinement and high-end, the demand for special structure intermediates is increasing day by day. Its unique quinoline structure and side chain functional groups can provide various possibilities for subsequent chemical reactions and help synthesize a series of high value-added products, such as new material additives, electronic chemicals, etc. Therefore, there is also some room for development in the chemical market.

However, its marketing activities also face challenges. The synthesis of this compound may require complex processes and special raw materials, and the production cost may be high. And in terms of biological activity research, although it has potential, a lot of experiments are needed to determine its safety and effectiveness. Only by overcoming these difficulties, effectively reducing costs and confirming biological activity can it occupy a place in the market and realize its commercial value.