2-methylpropyl (2S)-2-(2-methylpropoxy)quinoline-1(2H)-carboxylate

This is an investigation into the chemical structure of (2S) 2- (2-methylpropoxy) quinoline-1 (2H) -carboxylic acid 2-methylpropyl ester. Its naming follows the rules of organic chemistry, " (2S) " indicates the specific stereochemical configuration of the compound, which is the configuration of the chiral center, "2- (2-methylpropoxy) " means that the quinoline ring has 2-methylpropoxy at the second position, and "quinoline-1 (2H) -carboxylic acid" indicates that the substance is based on the quinoline structure, and the first position is the carboxylic acid radical group, 1 (2H) indicates the double bond hydrogenation at this position, and "2-methylpropyl ester" refers to the ester of the carboxylic acid with 2-methylpropanol.
According to the words of "Tiangong Kaiwu", the structure of this compound is based on quinoline, and various functional groups are attached to it. The 2-position is connected to the 2-methylpropoxy group, and its shape is connected like a branched chain, while the 1-position carboxylic acid is esterified with 2-methylpropanol to form an ester, which is like a tenon-and-mortise fit, forming the framework of this organic molecule. The " (2S) " of the three-dimensional configuration is also its unique identification, which is related to the subtle difference in its physical and chemical properties. Its structure is delicate and complex, and all parts complement each other to shape the unique chemical characteristics of this compound. In the field of organic chemistry, it is like a pearl, waiting for scholars to study in detail and gain insight into its mysteries.

2-Methylpropyl (2S) -2- (2-methylpropoxy) quinoline-1 (2H) -carboxylic acid ester is one of the organic compounds. It has various physical properties, which are described in detail below.
Looking at its properties, it is often a colorless to light yellow oily liquid. This is due to its molecular structure, the arrangement and interaction between atoms, which causes it to be in this state under normal temperature and pressure. Its melting point is very low, about -20 ° C. Due to the weak intermolecular force, the lattice structure can be disintegrated without excessive energy, and it can be converted from a solid state to a liquid state. The boiling point is relatively high, about 280-290 ° C. Due to the presence of large conjugated systems and polar groups in the molecule, which enhances the intermolecular force, a higher temperature is required to make it boil, from liquid to gaseous.
When it comes to solubility, the compound is slightly soluble in water. Although there are polar carboxylic acid ester groups in the molecule, the presence of long-chain alkyl groups and quinoline rings increases the non-polarity of the molecule, and it is difficult to form an effective interaction with water molecules, so the solubility in water is poor. However, it has good solubility in organic solvents such as ethanol, ether, and dichloromethane. Because the molecules of organic solvents and the molecules of the compound can interact with each other through van der Waals forces, hydrogen bonds, etc., they are compatible with each other. < Br >
Its density is slightly higher than that of water, about 1.05-1.10 g/cm ³. Due to the wide variety of atoms in the molecule and the large relative molecular mass, the mass per unit volume is higher than that of water. The refractive index is about 1.520-1.530. This value reflects its ability to refract light. It is related to the distribution of electron clouds in the molecular structure. The presence of conjugated systems and heteroatoms affects the propagation path of light in it, and then determines the size of the refractive index.

2-Methylpropyl (2S) -2- (2-methylpropoxy) quinoline-1 (2H) -formate, which has a wide range of uses. In the field of medicine, or can be used as a pharmaceutical intermediate, with its unique chemical structure, participate in drug synthesis, and help develop new drugs with specific curative effects. Because of its chemical properties, it may affect drug activity and selectivity, contributing to the creation of drugs to treat difficult diseases.
In the field of materials science, it may have unique optical, electrical or thermal properties, so it can be used to prepare special functional materials. For example, it can improve material stability and solubility, so that the material can maintain good performance under specific conditions, and show its skills in the manufacture of electronic components and optical materials. < Br >
In the field of organic synthesis, as a key intermediate, compounds with diverse structures can be derived through various chemical reactions. With its functional group characteristics, esterification, substitution, addition and other reactions can be carried out to expand the variety of organic compounds and inject impetus into the development of organic synthesis chemistry.
Because of its structural characteristics, in the fragrance industry, it may provide the possibility for the formulation of new fragrances, endowing fragrances with unique aroma and stability, and enriching fragrance categories. In short, 2-methylpropyl (2S) -2- (2-methylpropoxy) quinoline-1 (2H) -formate has important potential uses in many fields, laying the foundation for the progress and innovation of related industries.

To prepare 2-methylpropyl (2S) -2- (2-methylpropoxy) quinoline-1 (2H) -carboxylic acid ester, you can follow the following method.
First take (2S) -2-hydroxyquinoline-1 (2H) -carboxylic acid, which is the key starting material. In a suitable reactor, add this hydroxycarboxylic acid and dissolve it with an appropriate amount of organic solvent, such as dichloromethane, N, N-dimethylformamide, etc., to ensure uniform dispersion.
Take 2-methylpropyl halide, such as 2-methylpropyl bromide or 2-methylpropyl chloride. Slowly add it to the above solution containing (2S) -2 -hydroxyquinoline-1 (2H) -carboxylic acid, and add an appropriate amount of alkali, such as potassium carbonate, sodium carbonate, etc. The function of the alkali is to neutralize the hydrogen halide produced by the reaction, and promote the reaction to the right. Control the reaction temperature, either at room temperature, or slightly heated, depending on the specific situation, usually kept between 20-50 ° C. This step aims to form 2-methylpropyl (2S) -2 -haloquinoline-1 (2H) -carboxylic acid ester intermediate.
Take 2-methylpropanol and react with the obtained intermediate above. With the help of a phase transfer catalyst, such as tetrabutylammonium bromide. In an alkaline environment, such as sodium hydroxide or potassium hydroxide in an aqueous solution and an organic solvent, the reaction is carried out in a two-phase system. Control the reaction temperature at 40-80 ° C and continue to stir to make the reaction sufficient. The hydroxyl nucleophilic group of 2-methylpropanol attacks the halogen atom of the intermediate to obtain 2-methylpropyl (2S) -2- (2-methylpropoxy) quinoline-1 (2H) -carboxylic acid ester.
After the reaction is completed, the conventional separation and purification method is used. The organic phase is first separated by a separation funnel, and then washed and dried with water to remove impurities. Then, the product was further purified by column chromatography or recrystallization to obtain pure 2-methylpropyl (2S) -2- (2-methylpropoxy) quinoline-1 (2H) -carboxylic acid ester.

2-Methylpropyl (2S) -2- (2-methylpropoxy) quinoline-1 (2H) -carboxylic acid ester is a more complex organic compound. During use, many precautions need to be paid attention to.
The first to bear the brunt is for safety protection. This compound may have certain toxicity and irritation, and protective measures must be taken when it comes into contact. If you wear protective clothing, this can effectively avoid direct contact between the compound and the skin and prevent skin damage; wear protective gloves, which can enhance hand protection and avoid hand contamination with compounds; wear goggles to protect the eyes from compound splashing damage. The operation should be carried out in a well-ventilated environment. If the ventilation is not good, the volatile gaseous substances of the compound will easily accumulate in the air, or cause irritation to the respiratory tract, and even cause serious consequences such as poisoning.
Furthermore, it is a storage condition. It should be stored in a cool, dry and ventilated place. If the temperature is too high, it may cause the compound to decompose and deteriorate; if the humidity is too high, it may cause the compound to deliquescent, affecting its chemical properties and purity. Keep away from fire sources and oxidants. This compound may be flammable, and there is a danger of combustion and explosion in case of open flames, hot topics or oxidants.
When using, accurate dosage control is also crucial. Due to the reactivity of the compound or the significant impact on the reaction product and experimental results, too much or too little dose may cause the experiment to deviate from expectations. And it is necessary to precisely control the reaction conditions, such as temperature, reaction time, pH, etc. Temperature has a great impact on the reaction rate and product selectivity. If the temperature is too high or too low, the reaction may not proceed smoothly, or unexpected products may be generated; the reaction time is insufficient, the reaction may be incomplete, the time is too long, or side reactions may be triggered; changes in pH may also change the reactivity and reaction path of the compound.
In addition, the standardization of the operation process cannot be ignored. Before operation, the relevant equipment needs to be cleaned and calibrated to ensure the accuracy of the experimental data. When operating, strictly follow the operating procedures to avoid safety accidents or experimental failures caused by improper operation. After the experiment is completed, properly dispose of the remaining compounds and waste, and must not be discarded at will to prevent pollution to the environment.
In short, when using 2-methylpropyl (2S) -2- (2-methylpropoxy) quinoline-1 (2H) -carboxylic acid esters, safety protection, storage conditions, dosage and reaction conditions control and operation standardization should be treated with caution to ensure the safety of the use process and the success of the experiment.