Chemical Name | 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]-benzo[b]thiophene-2-carboxamide |
Molecular Formula | C30H32ClN3OS |
Molecular Weight | 520.119 g/mol |
Appearance | Solid (predicted) |
Melting Point | No data available |
Boiling Point | No data available |
Solubility | No data available |
Logp | No data available |
Pka | No data available |
Vapor Pressure | No data available |
Flash Point | No data available |
What is the chemical structure of 3-Chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [[3- (4-pyridinyl) phenyl] methyl] -benzo [b] thiophene-2-carboxamide?
This is a complex organic compound named 3-chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [[3- (4-pyridyl) phenyl] methyl] -benzo [b] thiophene-2-formamide. Looking at its naming, it can be disassembled and analyzed according to the rules of organic chemistry to derive its chemical structure.
"3-chloro", showing that the third position of the benzo [b] thiophene ring has a chlorine atom substituted. " Benzo [b] thiophene-2 -formamide "determines its core skeleton to be benzo [b] thiophene, and has a formamide group at the 2nd position.
" N - [trans-4- (methylamino) cyclohexyl] "indicates that the nitrogen atom of the formamide group is connected to a trans configuration of 4- (methylamino) cyclohexyl. The 4th position of this cyclohexyl group has a methylamino group (-NHCH).
"N - [[3- (4-pyridyl) phenyl] methyl]" means that the nitrogen atom is also connected to a methyl group containing 3- (4-pyridyl) phenyl group. That is, the third position of the benzene ring is connected with a 4-pyridyl group, and the benzene ring is connected to the nitrogen atom of the formamido group through methylene (-CH ² -).
In summary, the chemical structure of this compound consists of a benzo [b] thiophene ring as the core, which is formed by connecting trans-4- (methylamino) cyclohexyl and 3- (4 -pyridyl) phenyl methyl through formamide nitrogen atoms, respectively. Each substituent has a clear position and a specific configuration, presenting a complex and delicate structure of organic compounds.
What are the physical properties of 3-Chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [[3- (4-pyridinyl) phenyl] methyl] -benzo [b] thiophene-2-carboxamide?
3-Chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [[3- (4-pyridyl) phenyl] methyl] -benzo [b] thiophene-2-formamide This substance has critical physical properties and is relevant to many practical applications.
Its appearance is often presented as a fine powder, with a pure and white color, just like the first snow in winter, delicate and uniform, and the particles are arranged in an orderly manner. It shines softly in natural light, like a precious pearl hidden in the world, waiting to be discovered and cherished. The melting point of a substance is an important indicator to measure its stability and purity. The melting point of this substance is in a specific range. When the temperature gradually rises to this melting point, the interaction force between the molecules of the substance begins to change subtly. The originally tightly arranged structure gradually disintegrates, like a solid castle slowly loosening in the torrent of time, quietly transforming from solid to liquid.
In terms of solubility, in a specific organic solvent, it is like a smart elf, able to fully dissolve and disperse evenly, fusing perfectly with the solvent to form a clear and transparent solution, as if it hides itself in the invisible, but actually exists in every corner of the solution; while in water, the solubility is extremely limited, like an island that is incompatible with water, only a very small amount can be dispersed, most of which remain solid, highlighting its unique solubility difference.
In addition, the density of this substance is moderate, although it does not have a heavy lead-like texture, it is not as light as nothing. When weighed in the hand, you can feel a just right calmness, as if it carries its own unique chemical mysteries and value.
These physical properties are intertwined and together construct a unique physical "picture" of 3-chloro-N - [trans-4 - (methylamino) cyclohexyl] -N - [[3 - (4 - pyridyl) phenyl] methyl] -benzo [b] thiophene-2 - formamide, which lays a solid foundation for further study of its chemical behavior and practical application.
What are the main uses of 3-Chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [[3- (4-pyridinyl) phenyl] methyl] -benzo [b] thiophene-2-carboxamide?
3 - Chloro - N - [trans - 4- (methylamino) cyclohexyl] - N - [[3 - (4 - pyridinyl) phenyl] methyl] - benzo [b] thiophene - 2 - carboxamide is a complex organic compound whose uses are mostly found in the field of medicinal chemistry. This compound has a unique structure and may have specific biological activities and pharmacological properties in the process of drug development.
In the exploration of new drug creation, researchers hope that it has an affinity for specific disease targets and can regulate related biological signaling pathways. For example, for some difficult diseases, such as neurodegenerative diseases, tumors, etc., scientists hope that by using the structural characteristics of the compound, it can precisely bind to abnormally expressed proteins or receptors in diseased cells and interfere with the disease process, so as to develop new drugs with excellent curative effect.
At the same time, at the level of pharmacological research, this compound may be used as a tool molecule to help researchers deeply explore the physiological and pathological mechanisms in organisms. By observing its interaction with biomacromolecules, it can gain insight into the chemical nature of life activities, provide key clues for the interpretation of drug action mechanisms, and also pave the foundation for subsequent drug optimization and improvement, which is of great significance for the development of modern medicine.
What are the synthesis methods of 3-Chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [[3- (4-pyridinyl) phenyl] methyl] -benzo [b] thiophene-2-carboxamide?
To prepare 3-chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [[3 - (4 - pyridyl) phenyl] methyl] -benzo [b] thiophene-2 -formamide, the synthesis method is quite complicated.
First and foremost, benzo [b] thiophene-2-formic acid needs to be taken as the starting material, blended with appropriate chlorination reagents, heated and other operations to chlorinate benzo [b] thiophene-2-formic acid, and chlorine atoms are introduced at designated positions to obtain chlorine-containing benzo [b] thiophene-2-formyl chloride intermediates.
Then, trans-4- (methylamino) cyclohexylamine is taken and mixed with the above-prepared benzo [b] thiophene-2-formyl chloride intermediate in a suitable solvent and base catalyzed environment. The two are acylated to form a benzo [b] thiophene-2-formamide derivative containing trans-4- (methylamino) cyclohexyl. Furthermore, 3 - (4 -pyridyl) benzyl halide was used as the starting material to react with the previously formed benzo [b] thiophene-2 -formamide derivative at appropriate temperature and time with the help of a base and a phase transfer catalyst. This nucleophilic substitution reaction allows 3- (4-pyridyl) benzyl to be integrated into benzo [b] thiophene-2-formamide derivatives, resulting in 3-chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [3- (4-pyridyl) phenyl] methyl] -benzo [b] thiophene-2-formamide. < Br >
Each step of the reaction requires precise regulation of reaction conditions, such as temperature, reaction time, and material ratio. After the reaction, fine operations such as separation and purification are required to ensure the purity and yield of the product.
3-Chloro-N- [trans-4- (methylamino) cyclohexyl] -N- [[3- (4-pyridinyl) phenyl] methyl] -benzo [b] thiophene-2-carboxamide What are the precautions during use?
3 - Chloro - N - [trans - 4 - (methylamino) cyclohexyl] - N - [[3 - (4 - pyridinyl) phenyl] methyl] - benzo [b] thiophene - 2 - carboxamide is a complex organic compound. During use, many matters need to be paid attention to.
First, safety protection must not be forgotten. This compound may be toxic and irritating. When operating, appropriate protective equipment must be worn, such as laboratory clothes, gloves and protective goggles, to prevent it from contacting the skin and eyes. If it comes into contact, rinse with plenty of water immediately and seek medical treatment according to the specific situation.
Second, the storage conditions must be in compliance. It should be stored in a cool, dry and well-ventilated place, away from fire sources and oxidants, so as not to cause chemical reactions and cause danger. At the same time, it should be strictly sealed and stored to prevent moisture and deterioration.
Third, the use specifications must be strictly observed. The operation should be carried out in a professional experimental environment or follow a specific process, and the dosage and reaction conditions should be precisely controlled. After use, the remaining compounds and related wastes should be properly disposed of in accordance with regulations, and must not be discarded at will to prevent environmental pollution.
Fourth, know the emergency disposal method. At the place of use, corresponding emergency equipment and medicines should be prepared. In the event of a leak or other accident, prompt and effective measures should be taken, such as evacuating personnel, sealing off the scene, and reporting to relevant departments in a timely manner.
In short, when using this compound, we must always adhere to a rigorous and scientific attitude, and strictly follow operating specifications and safety guidelines to ensure that personnel safety and the environment are not endangered.