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What is the chemical structure of 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl] methyl] thio] -1H-benzimidazole
The chemical structure of this organism can be disassembled and analyzed as follows:
First, "2 - [ [[ 3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl] methyl] phenyl] -1H-indazole", 1H-indazole is the core parent structure. This indazole is fused from a benzene ring and a pyrazole ring, and has no substituents on the nitrogen atom at the first position, showing the characteristic structure of 1H-indazole.
There is a complex side chain connected to the second position of the indazole. This side chain starts with a phenyl group, and the para-position of this phenyl group is connected to the structural unit containing the pyridyl group. The pyridyl part is methyl substituted at the 3rd position, and the 4th position is connected with a 2,2,2-trifluoroethoxy group. The pyridyl group is connected to the phenyl group through methylene to form the structure of [[3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl] methyl] phenyl, and finally connected to the 2nd position of 1H-indazole.
Overall, the chemical structure of the organic compound is complex, composed of a combination of multiple cyclic structures and specific substituents. The parent nucleus of indazole gives it a specific pharmacological activity basis, and the substituents such as methyl, trifluoroethoxy and pyridyl on the side chain will have a significant impact on its physicochemical properties and biological activities. For example, the strong electron-absorbing properties of trifluoroethoxy can change the electron cloud distribution of molecules and affect their interaction with biological targets; the connection mode and substituent position between pyridyl and indazole rings also play an important role in the spatial configuration and activity of molecules.
What are the physical properties of 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl] methyl] thio] -1H-benzimidazole
This is about the physical properties of 2 - [ [ [ 3 - methyl - 4 - (2,2,2 - trifluoroethoxy) - 2 - pyridyl] methyl] carbonyl] - 1H - indolocarbazole. This compound has the following physical properties:
1. ** Properties **: It is often in the state of crystalline powder and is stable at room temperature and pressure. Looking at its color, or white to off-white, this feature is easy to identify and distinguish.
2. ** Melting point **: Its melting point is a specific value, and this physical constant is an important indicator for the identification of this compound. Accurate determination of the melting point can help determine its purity and authenticity.
3. ** Solubility **: In organic solvents, such as dichloromethane, N, N-dimethylformamide (DMF), etc., it exhibits a certain solubility. However, the solubility in water is not good, and this property is related to the functional groups contained in the molecular structure. The hydrophobicity of organic groups makes it insoluble in water with strong polarity.
4. ** Stability **: Under normal conditions, this compound is relatively stable. When exposed to strong acids, strong bases or specific strong oxidants, its structure may change. Because of its internal chemical bonds, it is reactive under specific conditions.
5. ** Spectral properties **: In infrared spectroscopy, different functional groups have absorption peaks in a specific wavenumber range. The C-H stretching vibration peak of methyl and the C = O stretching vibration peak of carbonyl are all important basis for identifying the structure of the compound. In nuclear magnetic resonance spectroscopy (NMR), hydrogen and carbon atoms in different chemical environments exhibit unique chemical shifts, which help to analyze the molecular structure.
What is the synthesis method of 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl] methyl] thio] -1H-benzimidazole
To prepare 2- [[3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl] methyl] sulfonyl] -1H-indole, the following ancient method can be carried out:
First take appropriate starting materials, which involve compounds containing structures such as pyridyl and indolyl. In the reactor, add an appropriate amount of organic solvents, such as dichloromethane, N, N-dimethylformamide, etc., to create a suitable reaction environment.
For the introduction of methyl, methylation reagents such as iodomethane and dimethyl sulfate can be selected. Under the catalysis of bases, such as potassium carbonate, sodium carbonate, etc., the substrate undergoes methylation reaction, and the methyl group is precisely connected.
When introducing 2,2,2-trifluoroethoxy, the corresponding halogenated pyridine derivative can usually be reacted with 2,2,2-trifluoroethanol in the presence of a base and a phase transfer catalyst. The base can be selected from sodium hydride, potassium tert-butyl alcohol, etc. The phase transfer catalyst such as tetrabutylammonium bromide promotes the smooth progress of the nucleophilic substitution reaction and successfully connects 2,2,2-trifluoroethoxy.
As for the construction of sulfonyl linking structures, sulfonyl chloride compounds are often reacted with intermediates containing pyridyl groups under the action of bases. Bases such as triethylamine and pyridine promote the sulfonylation reaction to generate the required sulfonyl linking products.
After each step of reaction, extraction, column chromatography, recrystallization and other separation and purification methods are required to obtain high-purity intermediates and target products. The reaction process can be monitored by thin layer chromatography, liquid chromatography and other methods to ensure that each step of the reaction proceeds as expected, and the final product is pure 2- [[3-methyl-4- (2,2,2-trifluoroethoxy) -2 -pyridyl] methyl] sulfonyl] -1H -indole.
What are the application fields of 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl] methyl] thio] -1H-benzimidazole
2-% 5B% 5B% 5B3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl% 5D-methyl% 5D-yl% 5D-1H-indole, this compound has important applications in many fields.
In the field of medicine, due to its unique chemical structure, it may exhibit significant biological activity. For example, it can act on specific biological targets and play a therapeutic role in some diseases such as tumors and neurological diseases. It may be achieved by inhibiting tumor cell proliferation signaling pathways or regulating neurotransmitter metabolism.
In the field of pesticides, it may have good insecticidal and bactericidal properties. It can precisely act on the specific physiological processes of pests or pathogens, such as interfering with the conduction of the pest's nervous system, causing the pest to malfunction; or inhibiting the synthesis of pathogen cell walls, preventing the growth and reproduction of pathogens, and ensuring the healthy growth of crops.
In the field of materials science, the compound may also have potential applications. Its special structure may endow the material with unique optical, electrical or thermal properties, which can be used to prepare new optoelectronic devices, high-performance polymer materials, etc. For example, in organic Light Emitting Diode (OLED), it can be used as a light-emitting layer material to improve the luminous efficiency and stability of the device.
What is the market outlook for 2- [[[3-methyl-4- (2,2,2-trifluoroethoxy) -2-pyridyl] methyl] thio] -1H-benzimidazole?
Today, there are 2 - [ [ [ 3-methyl-4- (2,2,2-trichloroethoxy) - 2-propargyl] methyl] yl] - 1H-indolopyrazole, and its market prospect is related to many aspects.
Looking at its own characteristics, this compound has a unique structure and contains specific groups. 3-methyl, 2-propargyl, etc. endow it with certain chemical activity and reaction check point, which can participate in various organic reactions, or play a role in the synthesis of novel organic materials and pharmaceutical intermediates. 4 - (2,2,2 -trichloroethoxy) part, because it contains chlorine atoms, or affects the physical and chemical properties of compounds, such as solubility and stability, may have special performance in the field of materials science.
Talking about market demand, in the pharmaceutical industry, many drug research and development focuses on specific structural compounds. This compound has a unique structure or fits a specific drug target. If its biological activity can be confirmed by research, such as anti-cancer, anti-inflammatory, etc., it will welcome a broad market. Pharmaceutical companies continue to grow demand for new structural drug intermediates to develop innovative drugs with excellent efficacy and few side effects. In the field of materials, with the advancement of science and technology, the demand for organic materials with special properties is increasing. The compound may exhibit special electrical and optical properties due to its structural properties, and is used in optoelectronic materials, polymer materials, etc.
However, its market prospects also pose challenges. Synthesis of this compound may be difficult, requiring complex steps and specific conditions, and the cost may remain high, restricting large-scale production and marketing activities. And new compounds entering the market require strict testing and approval, especially in the field of medicine, which is time-consuming and laborious.
In summary, 2 - [ [ [ 3 - methyl - 4 - (2,2,2 - trichloroethoxy) - 2 - propargyl] methyl] yl] - 1H - indolopyrazole has an addressable market opportunity, but it needs to overcome the problems of synthesis and approval before it is expected to be widely used and recognized in the market.