Ethyl 2 Methylsulfanyl Quinoline 1 2h Carboxylate
quinoline thiophene imidazole thiazole

ethyl 2-(methylsulfanyl)quinoline-1(2H)-carboxylate

Taiy Chemical

    Specifications

    HS Code

    334102

    Chemical Formula C13H13NO2S
    Molar Mass 247.31 g/mol
    Appearance Typically a solid (appearance may vary based on purity and preparation)
    Melting Point Data may vary depending on purity; specific value requires experimental determination
    Boiling Point Also depends on purity and experimental conditions; no general value without testing
    Solubility In Water Expected to be low as it is an organic compound with non - polar groups
    Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform, etc. due to its organic nature
    Density Needs experimental measurement; no standard value available without testing
    Flash Point Requires experimental determination to obtain an accurate value
    Ir Spectrum Features Characteristic peaks for C=O in the ester around 1700 - 1750 cm⁻¹, C - N stretch around 1200 - 1300 cm⁻¹, and C - S stretch around 600 - 800 cm⁻¹

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    Frequently Asked Questions

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    What is the chemical structure of ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate
    This is an inquiry about the chemical structure of "ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate". According to chemical nomenclature, "ethyl" is ethyl, indicating that the compound contains ethyl groups; "2- (methylsulfanyl) " means that there is a methylsulfanyl at the 2nd position, and "methylsulfanyl" is methylsulfanyl-SCH; "quinoline" is a quinoline ring, which is a nitrogen-containing heterocyclic aromatic hydrocarbon; "1 (2H) -carboxylate" indicates that there is a carboxylic acid ester group at the 1st position (at the 2H position) of the quinoline ring. Overall, its chemical structure is based on the quinoline ring as the core, with a methylthio group at the 2nd position and a carboxylate ethyl group at the 1st position (at 2H). In this structure, the quinoline ring endows it with certain aromaticity and special electron cloud distribution, the methylthio group is the power supply group, which may affect the electron density and reactivity of the molecule, and the carboxylic acid ethyl ester group can participate in a variety of organic reactions, such as hydrolysis, alcoholysis, etc. In this way, the chemical structure of this compound is clarified.
    What are the physical properties of ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate
    Ethyl-2- (methylthio) quinoline-1 (2H) -formate, this substance is an organic compound. Looking at its structure, it is composed of quinoline ring system, methylthio group and ethyl formate group.
    In terms of its physical properties, under normal temperature, or in a solid state, it is mostly due to the interaction between organic molecules, so that it has a certain lattice structure. Its melting point and boiling point belong to the strength of intermolecular forces. Intermolecular forces contain van der Waals forces, hydrogen bonds, etc. Because the molecule contains aromatic rings and polar groups, Van der Waals forces are strong, so the melting point, boiling point or at a certain range.
    In terms of solubility, the compound may have different behaviors in organic solvents. It has a certain polarity, so it may have better solubility in polar organic solvents such as ethanol and acetone. The interaction between polar solvents and the polar groups of compounds can reduce the energy of the system and promote dissolution. However, in non-polar solvents such as n-hexane, the solubility may not be good, because the force between the two is weak.
    Appearance color, or white to light yellow powder or crystalline. Due to the different transition energy levels of electrons in the molecular structure, the absorption and reflection of visible light are different, so it shows this color.
    Volatility is also one end of its physical properties. Due to the limitation of intermolecular forces, the volatility is not high, and it is difficult to quickly evaporate to the gas phase at room temperature and pressure. The density of
    may be different from that of water, or due to different molecular compositions and packing methods. Its density may be slightly higher than that of water, or less than that of water, depending on the specific molecular structure and atomic mass distribution.
    The physical properties of ethyl-2- (methylthio) quinoline-1 (2H) -formate are the basis for its application in chemical industry, medicine and other fields, and are of great significance to the research and production of related fields.
    What is the synthesis method of ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate
    To prepare ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate, the method of organic synthesis is often followed. At the beginning, the appropriate quinoline derivative is used as the base. Or take quinoline first, make it under specific reaction conditions, and introduce a group containing methyl sulfide at the 2-position. This can be done by means of a nucleophilic substitution reaction. Select a suitable methyl sulfide reagent, such as methyl mercaptan, and react with quinoline in the presence of a suitable solvent and base, so that the thio group is connected to the 2-position of quinoline.
    Then, the carboxethyl ester group needs to be constructed at the 1 (2H) -position of quinoline. Or it can be activated by first activating the 1-position and then reacting with a reagent containing ethyl ester group. For example, the 1-position is first halogenated to obtain a halogenated quinoline derivative, and then with the help of ethanol and carbon dioxide in a metal catalyst (such as palladium catalyst), the carboxyl group is introduced by carboxylation reaction, and then esterified with ethanol to form this carboxyethyl ester group.
    Or there is another way. A quinoline parent nucleus containing carboxyethyl ester group can be constructed first, and then a methyl thio group can be introduced. For example, a quinoline precursor containing ethyl ester group is introduced at the 2-position by electrophilic substitution reaction. This process requires good control of the reaction conditions, selection of suitable reaction reagents and catalysts, and attention to factors such as temperature and reaction time to promote the smooth reaction and obtain high-purity ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate. The way of synthesis is more expensive than carefully choosing the path and carefully examining the conditions of each step of the reaction, so that each step can achieve the desired purpose and obtain sufficient and high-quality products.
    What is the main use of ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate?
    Ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate, Chinese name ethyl2- (methylsulfanyl) quinoline-1 (2H) -carboxylate, this compound is widely used in the chemical and pharmaceutical fields.
    In the chemical industry, it is a key intermediate in organic synthesis. With its own structural characteristics, it can participate in various chemical reactions to build more complex organic molecular structures. For example, it can interact with many reagents through esterification reactions, substitution reactions, etc., to generate organic materials with specific functions, such as for the preparation of unique polymer properties, which is of great significance in material modification, which can optimize the physical and chemical properties of materials and expand their application scope.
    In the field of medicine, this compound has shown potential medicinal value. Studies have shown that its structure is similar to some biologically active molecules, or it can be used as a lead compound for drug research and development. By modifying and optimizing its structure, it is expected to develop new drugs. For example, it may have biological activities such as antibacterial, anti-inflammatory, and anti-tumor, providing new opportunities for solving current medical problems. Based on this compound, researchers can deeply explore its interaction mechanism with biological targets, improve its efficacy and selectivity through rational drug design, and develop safer and more effective innovative drugs for the benefit of patients.
    What are the relevant safety precautions for ethyl 2- (methylsulfanyl) quinoline-1 (2H) -carboxylate?
    Ethyl-2- (methylthio) quinoline-1 (2H) -carboxylate, this is an organic compound, and it needs to be treated with caution due to its safety precautions.
    First, this substance is chemically active. When operating, you must wear suitable protective clothing, such as laboratory clothes, gloves and protective goggles, to prevent the substance from coming into contact with the skin and eyes. Because of its risk of sensitization to the skin, if you accidentally touch it, you should immediately rinse it with plenty of water and then seek medical treatment. If the eyes are affected, you need to rinse them with running water immediately and keep the eyelids open. Seek medical treatment.
    Second, this compound may be toxic. The operating place must be well ventilated, and it is best to work in a fume hood to avoid inhalation of its volatile aerosols or dust. If you inhale this substance, you should quickly leave the scene and go to a place where the air is fresh. If you feel uncomfortable breathing, you need to seek medical attention immediately.
    Third, ethyl-2- (methylthio) quinoline-1 (2H) -carboxylate or flammable, so it should be kept away from fire sources and hot topics. It should be properly stored in a cool, dry and ventilated place. It should also be stored separately from oxidants. It must not be mixed to avoid dangerous reactions.
    Fourth, when using and disposing of this substance, it is necessary to strictly follow relevant regulations and operating procedures. After the experiment is completed, the disposal of its waste should also comply with regulations and should not be discarded at will to avoid polluting the environment.
    In short, when dealing with ethyl-2- (methylthio) quinoline-1 (2H) -carboxylic acid esters, it is necessary to always be cautious and strictly abide by safety procedures to ensure that personal safety and the environment are not endangered.