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What is the chemical structure of Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate?
Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate is an organic compound. Its chemical structure can be analyzed from the following aspects.
This compound contains a quinoline parent nucleus, which has an nitrogen heterocyclic structure fused with pyridine and benzene. In this compound, the 6 and 7 positions of the quinoline ring are connected to a fluorine atom. The introduction of this fluorine atom can significantly affect the physical, chemical and biological activities of the compound. The 4 position is a hydroxyl group, which has active chemical properties and can participate in many chemical reactions, such as esterification and etherification, and also plays an important role in the polarity of molecules and the formation of hydrogen bonds. The presence of sulfur atoms changes the electron cloud distribution and spatial structure of the molecule, which contributes to the lipophilicity and other properties of the compound. The 3-position is connected with carboxylate, which not only increases the complexity of the molecule, but also gives the compound a variety of chemical behaviors.
Overall view, Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate has a unique chemical structure, and the interaction of each substituent gives the compound unique physical, chemical and biological activities. It may have potential research and application value in organic synthesis, medicinal chemistry and other fields.
What are the main uses of Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate?
Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate, is one of the organic compounds. It has a wide range of uses and is often used as a key intermediate in the field of medicinal chemistry. It can prepare bioactive compounds through specific chemical reaction paths. These compounds may exhibit unique pharmacological activities in the process of drug research and development, such as antibacterial, antiviral, and antitumor equivalent properties.
In the field of pesticide chemistry, it also has important functions. Or it can be converted into pesticide products with insecticidal and bactericidal properties. After ingenious chemical modification and structural optimization, compounds with efficient control effects on specific crop diseases and pests can be obtained, which can help agricultural production and harvest, and are environmentally friendly, meeting the needs of current green agriculture development.
In addition, in the field of materials science, this compound may participate in the creation of new functional materials due to its own unique chemical structure and properties. For example, by compounding or modifying with other substances, it can endow materials with special optical and electrical properties, and find application opportunities in optoelectronic devices.
From this point of view, Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate has significant application value in many fields. With the continuous improvement of science and technology, its potential uses may be further expanded, injecting new impetus into the development of many industries.
What are the synthesis methods of Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate?
In order to obtain Ethyl 2- (ethylsulfanyl) -6,7-difluoro-4-hydroxyquinoline-3-carboxylate, it can be synthesized according to the following ancient method.
First, use appropriate starting materials, such as fluorine-containing aromatic compounds, and thioethyl reagents, under suitable reaction conditions, carry out nucleophilic substitution reaction. Pay attention to the choice of reaction temperature, solvent and catalyst. If the temperature is too high or too low, the reaction rate and yield can be affected. If an aromatic hydrocarbon and ethyl thioxide are used in a polar aprotic solvent, such as dimethyl sulfoxide (DMSO), under the catalysis of a base, the base can be selected from potassium carbonate, etc., so that the leaving group on the aromatic hydrocarbon is replaced by ethyl thio to obtain an intermediate containing thioethyl. < Br >
Second, the intermediate is cyclized to construct the skeleton of quinoline. It is often necessary to use suitable cyclization reagents and conditions, such as with compounds containing carboxyl and hydroxyl groups, in the presence of dehydrating agents. The dehydrating agent can use dicyclohexyl carbodiimide (DCC), etc., under heating conditions, to promote intramolecular cyclization to form a quinoline ring system. In this process, the reaction parameters need to be carefully adjusted to ensure the smooth progress of the cyclization reaction and avoid the occurrence of side reactions.
Furthermore, the obtained cyclization products are modified with hydroxyl and carboxyl groups. For example, ethanol and suitable esterification reagents are used to esterify carboxyl groups under acid catalysis to form ethyl ester groups. The acid catalyst can be selected from p-toluenesulfonic acid, etc., and the esterification is completed under the condition of heating and reflux. The retention or further modification of hydroxyl groups depends on the specific reaction requirements.
The whole process of synthesis requires detailed monitoring and characterization of the reaction products at each step by various analytical methods, such as thin-layer chromatography (TLC), nuclear magnetic resonance (NMR), etc., to ensure that the reaction proceeds according to the expected path and the purity and structure of the products meet the requirements. Each step requires fine operation to obtain the target product Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate.
What are the physical and chemical properties of Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate?
Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate is an organic compound. Looking at its physical and chemical properties, in terms of appearance, it is often a crystalline solid. Because of the specific forces between molecules, the molecules are arranged in an orderly manner, so they form a crystalline state.
When it comes to the melting point, the compound has a specific melting point range, because when heating up, the molecules acquire enough energy to overcome the lattice energy and the crystal structure disintegrates. Its melting point is determined by the magnitude of the intermolecular forces, such as van der Waals force, hydrogen bond, etc. The fluorine, sulfur and other atoms in this compound are involved, and the intermolecular forces are unique, so the melting point may be in a certain range.
In terms of solubility, in organic solvents, such as dichloromethane and acetone, there is a certain solubility. Due to the fact that these organic solvents can form similar forces between the molecules of the compound, they can be mixed with each other according to the principle of similar miscibility. However, in water, the solubility is very small, and the hydrophobic groups in its molecules account for a large proportion. The force between water and the compound molecules is weak, making it difficult to overcome the intermolecular force of the compound, so it is difficult to dissolve.
In terms of chemical properties, the hydroxyl groups in its molecules are acidic and can react with bases to form corresponding salts. Due to the large electronegativity of oxygen atoms in the hydroxyl groups, the electron cloud of hydrogen-oxygen bonds is biased towards oxygen, and hydrogen is easy to leave in the form of protons. At the same time, ester groups can undergo hydrolysis reactions. Under the catalysis of acids or bases, ester bonds are broken to form corresponding carboxylic acids and alcohols. Sulfur atoms have certain nucleophilic properties and can participate in reactions such as nucleophilic substitution. Because there are lone pairs of electrons in the outer layer, they can attack the electron-deficient center.
What is the price of Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate in the market?
Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate is a specific organic compound. However, in today's world, its price in the market is difficult to determine. Due to the interaction of many factors, its valence state is in a dynamic change.
First, the complexity of the preparation process of this compound has a deep impact on its price. If the preparation requires multiple difficult processes, and the reaction conditions at each step are harsh, the raw materials are rare, and it consumes huge manpower and material resources, the production cost is high, and the price will rise.
Second, the market supply and demand situation also affects its price. If there is a strong demand for this compound in the fields of pharmaceutical research and development, chemical production, etc., but the supply is limited, the merchant will raise the price due to market demand; on the contrary, if there is a lack of market demand and excess supply, the price will fall automatically.
Third, the fluctuation of raw material prices is also the key to affecting the price of this compound. If the price of raw materials rises sharply, the production cost will also rise. In order to ensure profits, the merchant can only increase the price of the product.
Fourth, factors such as the region and market competition should not be underestimated. Different regions may have different prices due to economic levels and tax policies. Where market competition is fierce, merchants may have to reduce prices in order to compete for shares.
Therefore, in order to know the exact market price of Ethyl 2- (ethylsulfanyl) -6, 7-difluoro-4-hydroxyquinoline-3-carboxylate, it is necessary to carefully observe the current market conditions, or consult the relevant chemical product suppliers and traders, in order to obtain more accurate price information.