As a leading ethyl 2,6-bis(trifluoromethyl)quinoline-4-carboxylate supplier, we deliver high-quality products across diverse grades to meet evolving needs, empowering global customers with safe, efficient, and compliant chemical solutions.
What is the chemical structure of ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate
Ethyl 2,6 - bis (trifluoromethyl) quinoline - 4 - carboxylate, this is the English name of an organic compound. Its chemical structure is described in the classical Chinese genre of "Tiangong Kaiwu", when so said.
The core structure of this object is the quinoline ring, which is formed by fusing the nitrogen-containing hexagonal aromatic ring with the benzene ring. At the 2nd and 6th positions of the quinoline ring, there is a characteristic trifluoromethyl group attached to each. This trifluoromethyl group is formed by connecting one carbon atom with three fluorine atoms. It has strong electronegativity and has a great influence on the properties of the compound.
Furthermore, at the 4th position of the quinoline ring, there is a monocarboxylic acid ethyl group attached. The carboxylic acid ethyl ester group is obtained by esterification of the carboxyl group with ethanol. The carbonyl carbon of the carboxyl group is connected to the fourth carbon of the quinoline ring, and the other oxygen atom of the carboxyl group is connected to the carbon atom of the ethyl group. The ethyl group is the remaining group of the ethane molecule after removing a hydrogen atom, which contains only two elements of carbon and hydrogen.
Looking at the chemical structure of this compound, the quinoline ring is the main frame, and the trifluoromethyl group and the carboxylic acid ethyl ester group are the side chains. The groups are linked to each other to form a unique chemical structure of ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate. This structure also determines its unique chemical and physical properties.
What are the main uses of ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate
Ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylic acid ester has a wide range of uses. In the field of medicinal chemistry, it is often used as a key intermediate to help synthesize a variety of specific drugs. The unique trifluoromethyl and quinoline structures in the molecule endow the synthesized drugs with excellent physiological activities and pharmacokinetic properties, such as enhancing the lipid solubility of the drug, which is conducive to the drug passing through the biofilm and improving bioavailability; it can also enhance the interaction between the drug and the target, and improve the efficacy.
In the field of materials science, ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylic acid esters also have important uses. It can be used to prepare organic optoelectronic materials with unique functions. Its structural characteristics can adjust the electronic transmission and optical properties of the material, and are used in organic Light Emitting Diode (OLED), organic solar cells and other devices. With its special structure, the energy level structure of the material can be optimized, the electron mobility can be improved, and the photoelectric conversion efficiency and stability of the device can be improved.
In addition, this compound is also involved in the field of pesticide chemistry. After reasonable modification and transformation, high-efficiency, low-toxicity and environmentally friendly pesticide varieties can be developed. Due to its structural characteristics, it can exhibit good biological activity against specific pests or pathogens, providing new ways and methods for agricultural pest control and promoting sustainable development of agriculture. Overall, ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate plays a key role in many important fields, promoting technological progress and innovative development in various fields.
What are the synthesis methods of ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate
There are several common methods for synthesizing ethyl 2,6 - bis (trifluoromethyl) quinoline - 4 - carboxylate (2,6 - bis (trifluoromethyl) quinoline - 4 - carboxylate).
First, aniline derivatives containing corresponding substituents and halogenated aromatic hydrocarbons containing carboxyl groups and suitable substituents are used as starting materials. First, aniline derivatives and halogenated aromatic hydrocarbons are used in suitable organic solvents (such as N, N - dimethylformamide) under the action of suitable catalysts (such as palladium catalysts) and bases (such as potassium carbonate, etc.), through Ullmann reaction or similar arylation reaction, to construct part of the quinoline ring structure. Subsequently, the obtained intermediate product is carboxyl esterified, and under acid catalysis (such as concentrated sulfuric acid), it reacts with ethanol to form the target product 2,6-bis (trifluoromethyl) quinoline-4-carboxylic acid ethyl ester. The steps of this pathway are relatively clear, but attention should be paid to the control of the reaction conditions to ensure the yield and selectivity of each step.
Second, we can start from the pyridine derivative containing trifluoromethyl. The quinoline ring is constructed by a series of reactions such as nucleophilic substitution and cyclization of the pyridine ring. First, the pyridine derivative undergoes nucleophilic substitution with suitable nucleophilic reagents, and the desired substituent is introduced. After that, the intracellular cyclization is promoted under appropriate conditions to form a quinoline structure. Finally, the cyclization product is carboxylated and ethylated to obtain the target compound. This method requires reasonable selection of reaction reagents and conditions according to the activity of pyridine derivatives to avoid unnecessary side reactions.
Third, trifluoromethylbenzaldehyde and compounds containing active methylene (such as diethyl malonate derivatives) are used as raw materials. First, unsaturated compounds with certain carbon chains and substituents are formed by condensation reaction, and then cyclization is carried out under suitable oxidants (such as DDQ, etc.) and acidic conditions to construct quinoline rings. Subsequently, the cyclization products are post-processed to achieve carboxyl esterification, resulting in ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate. This route focuses on the synergy of condensation and cyclization reactions, and requires high reaction environment.
The above methods have their own advantages and disadvantages. In actual synthesis, it is necessary to comprehensively consider many factors such as raw material availability, cost, yield and product purity, and choose the best one to use.
What are the physical properties of ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate
Ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylic acid ester is a compound in the field of organic chemistry. Its physical properties are of great interest and are closely related to many practical applications.
Looking at its appearance, it often takes the form of a crystalline solid, and the pure ones have a crystal clear appearance, emitting a unique luster like fine ice crystals. This morphological feature not only makes it visually unique, but also hints at the order of its molecular arrangement.
When it comes to the melting point, this compound usually undergoes a phase transition within a certain temperature range. The exact melting point value varies depending on the purity of the sample and the measurement conditions, and is roughly within a certain temperature range. Melting point, as a key physical property, not only reflects the strength of intermolecular forces, but also is an important basis for judging the purity of compounds. When the intermolecular forces are strong, higher energy is required to break the lattice binding, and the melting point increases accordingly; otherwise, the melting point decreases.
In terms of boiling point, ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate will change from liquid state to gaseous state under specific pressure. The boiling point is affected by the molecular structure, relative molecular weight and intermolecular forces. The relative molecular mass is large and the intermolecular forces are complex, and its boiling point is often higher. The determination of boiling point is of great significance for the separation, purification and application of compounds.
Solubility is also an important consideration. In organic solvents, such as chloroform and dichloromethane, it usually exhibits good solubility. This is because its molecular structure can form suitable interactions with organic solvent molecules, such as van der Waals force, hydrogen bonds, etc., which promote the dissolution process. However, in water, its solubility is relatively poor. Water is a polar molecule, and the molecular polarity of this compound is quite different from water. According to the principle of "similar miscibility", the two are difficult to miscible with each other.
In terms of density, the density of ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate may be slightly different from that of water. The density value is not only related to its distribution position in the solution system, but also has guiding value for determining the dosage of substances and equipment selection in chemical production and material applications.
In addition, the stability of the compound cannot be ignored. Under normal temperature and pressure and general environmental conditions, it has certain chemical stability. However, under extreme conditions of high temperature, strong acid, strong base or specific catalysts, its molecular structure may change, triggering chemical reactions such as ester hydrolysis and substitution reactions. This stability feature provides an important reference for the control of conditions during its storage, transportation and use.
In summary, the physical properties of ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylic acid esters are rich and diverse, and these properties are interrelated and affect each other, which together determine their application potential and direction in chemical research, industrial production, and materials science.
What is the market outlook for ethyl 2,6-bis (trifluoromethyl) quinoline-4-carboxylate
Ethyl 2,6 - bis (trifluoromethyl) quinoline - 4 - carboxylate, Chinese name or 2,6 - bis (trifluoromethyl) quinoline - 4 - carboxylate, this is a class of organic compounds. Looking at its market prospects, there are many things worth exploring.
In terms of its application field, it may have potential medicinal value in the field of medicinal chemistry. Because it contains special trifluoromethyl groups, it can change the physical, chemical and biological activity properties of compounds. After rational structural modification and optimization, new specific drugs may be developed, such as anti-cancer, anti-virus and other drugs. Therefore, in the frontier field of pharmaceutical research and development, it may attract the attention of many researchers and give birth to a series of innovative drug research projects, which will open up a broad market space for it.
In the field of materials science, it also has the potential to emerge. Because of its unique chemical structure, it may endow materials with special optical and electrical properties. For example, it may be applied to organic photovoltaic materials as material components such as Light Emitting Diodes and solar cells to improve material properties and efficiency. With the advancement of science and technology, there is an increasing demand for special performance compounds in materials science. This compound may gain a place in the high-end materials market due to its characteristics.
However, its market development has not been smooth sailing. From the perspective of synthesis, the preparation process may be difficult and complex, the introduction steps containing trifluoromethyl may require special reagents and reaction conditions, and the cost may remain high, which poses a challenge for large-scale industrial production. If you want to expand the market, you must overcome the synthesis problem, optimize the process, and reduce the cost. And market competition is also a factor that cannot be ignored. Similar or alternative compounds may already exist in the market. To stand out, you need to highlight your unique advantages.
But overall, with the continuous development of science and technology, the demand for special performance compounds is on the rise. Ethyl 2,6 - bis (trifluoromethyl) quinoline - 4 - carboxylate, with its potential application value in the field of medicine and materials, can properly solve the problems of synthesis and competition, and the future market prospect is expected to be bright, playing an important role in promoting the progress of related industries.