Chemical Formula | C22H21ClN2O2S |
Molecular Weight | 412.93 g/mol |
Appearance | Typically a solid, exact color may vary |
Melting Point | Data may vary depending on purity |
Solubility | Solubility characteristics in different solvents vary, may be sparingly soluble in water |
Density | Data may be scarce, would depend on physical form |
Pka | No widely - known pKa value reported |
Logp | Value related to lipophilicity, data may vary based on calculations |
Ir Absorption Peaks | Characteristic peaks related to functional groups like C=O, C - N, etc., specific values need experimental determination |
What is the chemical structure of 3-chloro-N- [4- (morpholin-4-yl) phenyl] -1-benzothiophene-2-carboxamide?
3 - chloro - N - [4 - (morpholin - 4 - yl) phenyl] -1 - benzothiophene - 2 - carboxamide, its chemical structure is one of the structures of organic compounds. This compound is composed of several parts.
Its core is the parent nuclear structure of 1 - benzothiophene (benzothiophene), which is formed by fusing a benzene ring with a thiophene ring, giving the compound specific aromatic and rigid structural characteristics. At the second position of benzothiophene, a carboxylamide group (-CONH -) is connected. The existence of this group can significantly affect the physicochemical properties and biological activities of the compound due to hydrogen bonding.
At the third position of benzothiophene, a chlorine atom (-Cl) is connected. The introduction of chlorine atoms can change the electron cloud distribution of the molecule, affect the lipophilicity, dipole moment and other properties of the compound, and then affect its biological activity and interaction with biological targets.
Furthermore, the N- [4- (morpholin-4-yl) phenyl] part is connected by amide bonds, where 4- (morpholin-4-yl) phenyl is 4- (morpholine-4-yl) phenyl, the morpholine ring is a nitrogen-containing hexaadic ring, which has certain alkalinity and flexibility, and the phenyl group increases the conjugation system and hydrophobicity of the molecule. The connection of this part can further regulate the overall properties of the compound, such as solubility and the ability to bind to targets.
In summary, the chemical structure of this compound interacts with each other to determine its unique physicochemical properties and biological activities.
What are the main uses of 3-chloro-N- [4- (morpholin-4-yl) phenyl] -1-benzothiophene-2-carboxamide?
3-chloro-N- [4- (morpholin-4-yl) phenyl] -1-benzothiophene-2-carboxamide, this is an organic compound. Its main uses are quite extensive, let me tell them one by one.
In the field of medicinal chemistry, it may be used as a lead compound. Because of its unique chemical structure or specific biological activity, it can interact with specific targets in organisms. For example, it may act on receptors and enzymes related to certain diseases, and then lay the foundation for the development of new therapeutic drugs. Scientists can modify and optimize its structure to improve its activity, selectivity and pharmacokinetic properties, and are expected to develop effective therapeutic drugs for difficult diseases such as cancer and neurological diseases.
In the field of materials science, such compounds may also exhibit special properties. The benzothiophene, phenyl and morpholine groups contained in their structures may endow materials with specific optical and electrical properties. For example, in the field of organic optoelectronic materials, it may be used to prepare organic Light Emitting Diodes (OLEDs), organic solar cells and other devices. With its unique electronic structure, it can achieve efficient photoelectric conversion and improve the performance and efficiency of materials.
Furthermore, in scientific research, this compound can serve as a tool compound. Researchers can use it to explore specific physiological processes, signal transduction pathways, etc. in organisms. By observing their interactions with biological macromolecules, we can gain a deeper understanding of the mysteries of life activities and provide key research methods and tools for basic research in life sciences.
What is the synthesis method of 3-chloro-N- [4- (morpholin-4-yl) phenyl] -1-benzothiophene-2-carboxamide?
To prepare 3 - chloro - N - [4 - (morpholin - 4 - yl) phenyl] -1 - benzothiophene - 2 - carboxamide, the method is as follows:
First take 1 - benzothiophene - 2 - carboxylic acid as the starting material, and heat it with thionyl chloride ($SOCl_2 $) to obtain 1 - benzothiophene - 2 - carbonyl chloride. In this step, the function of thionyl chloride is to replace the hydroxyl group of the carboxylic acid with a chlorine atom to obtain the corresponding acid chloride. Its reaction is intense, it needs to be well ventilated, and the temperature is carefully controlled to prevent accidents. < Br > times, take 4- (morpholin-4-yl) aniline and dissolve it in a suitable organic solvent, such as dichloromethane or N, N-dimethylformamide (DMF). Slowly drop the previous 1-benzothiophene-2-carbonyl chloride into this solution, and add an appropriate amount of acid binding agent, such as triethylamine or pyridine. The acid binding agent can bind to the hydrogen chloride generated by the reaction, so that the reaction equilibrium shifts to the right and promotes the formation of amide bonds. This step of the reaction should be started at low temperature and gradually raised to room temperature to ensure the smooth reaction and the purity of the product.
After the reaction is completed, the reaction solution should be treated in the conventional method. First, the organic phase is extracted with water and organic solvent, and dried with anhydrous sodium sulfate or magnesium sulfate to remove the water. After vacuum distillation, the organic solvent is removed to obtain the crude product.
The crude product is purified by column chromatography, and the appropriate silica gel is selected as the stationary phase. The mixed liquid of petroleum ether and ethyl acetate in different proportions is used as the mobile phase. According to the difference of the distribution coefficient between the fixed phase and the mobile phase of the product and the impurity, the product and the impurity are separated, and the final product is obtained as pure 3-chloro-N - [4 - (morpholin-4 - yl) phenyl] -1 - benzothiophene-2 - carboxamide. The whole process requires careful operation, paying attention to the reaction conditions and processing details of each step, in order to achieve satisfactory yield and purity.
What are the physical and chemical properties of 3-chloro-N- [4- (morpholin-4-yl) phenyl] -1-benzothiophene-2-carboxamide?
3 - chloro - N - [4 - (morpholin - 4 - yl) phenyl] - 1 - benzothiophene - 2 - carboxamide is an organic compound. Its physicochemical properties are very important for its application in various fields.
First of all, the appearance of this compound is often solid, mostly white or off-white powder. This form is conducive to storage and transportation, and is easy to handle in many reaction systems. Its melting point is also a key property. The purity of the compound can be determined by accurately measuring the melting point. Generally speaking, high-purity substances have a narrow melting point range. If impurities are mixed, the melting point may be reduced and the melting range may be widened.
In terms of solubility, the compound has a certain solubility in organic solvents such as dichloromethane, N, N-dimethylformamide (DMF). This property is crucial in organic synthesis because it can participate in various reactions in suitable solvents, such as acylation, substitution, etc. In dichloromethane, intermolecular forces interact with solvent molecules, so that the compound can be uniformly dispersed, which is conducive to the full progress of the reaction.
Furthermore, its chemical stability cannot be ignored. Under normal conditions, it has a certain stability, but when exposed to extreme conditions such as strong acids, strong bases or high temperatures, chemical reactions may occur. For example, in a strong base environment, amide bonds may undergo hydrolysis, resulting in changes in molecular structure, which in turn affect their properties and functions. The physical and chemical properties of this compound, such as appearance, melting point, solubility, and chemical stability, are of great significance in the fields of organic synthesis and drug development, providing a key foundation for related research and applications.
What is the market outlook for 3-chloro-N- [4- (morpholin-4-yl) phenyl] -1-benzothiophene-2-carboxamide?
Today, there are 3-chloro-N- [4- (morpholin-4-yl) phenyl] -1 -benzothiophene-2-carboxamide. The market prospect of this product is a matter of concern to everyone. In the field of pharmaceutical and chemical industry, such compounds are often involved in drug development. Because of their unique chemical structure, they have considerable exploration value in many disease targets or potential activities.
In terms of drug development, many pharmaceutical companies and scientific research institutions are always looking for novel and effective therapeutic drugs. The specific functional groups contained in this compound, such as benzothiophene, chlorine atoms, morpholine groups, etc., can precisely interact with proteins, enzymes and other targets in the body, or can lay the foundation for the creation of innovative drugs. In the fields of anti-tumor, nervous system diseases, cardiovascular diseases, etc., it is expected to show unique curative effects, so as to attract the attention of many scientific researchers, R & D enthusiasm is high, and investment is increasing.
Furthermore, with the advancement of science and technology, drug synthesis technology is becoming more and more perfect. The methods for synthesizing such complex compounds are also becoming more and more mature, and the cost is expected to gradually decrease, paving the way for their large-scale production and marketization. And with the in-depth understanding of the pathogenesis of diseases, the demand for compounds with specific structures is also increasing day by day. This compound is timely and born in response to the situation, and the market prospect is quite broad.
Of course, it should also be noted that the road to the market is not smooth. Although the prospect is attractive, the drug development process is long and arduous, and it must undergo rigorous clinical trials to prove its safety and effectiveness. And the market competition is fierce, with similar or potential replacement compounds emerging one after another. Only by constantly improving research and development and improving product quality can we emerge in the market, achieve great results, and enjoy the rich dividends brought by this broad prospect.