Chemical Formula | C24H28ClFN3O3 |
Molecular Weight | 463.95 |
Appearance | Solid (predicted) |
Boiling Point | Predicted value, around 567.2°C at 760 mmHg |
Melting Point | Predicted value, around 120 - 125°C |
Logp | Around 3.5 (predicted, octanol - water partition coefficient) |
Solubility | Poorly soluble in water, more soluble in organic solvents like DMSO, DMF |
Pka | Predicted values for relevant functional groups, amine pKa around 9 - 10 |
Density | Predicted value, around 1.25 g/cm³ |
Refractive Index | Predicted value, around 1.57 |
Chemical Formula | C25H29ClFN3O3 |
Molecular Weight | 475.97 |
Appearance | Solid (predicted) |
Boiling Point | 615.9°C at 760 mmHg (predicted) |
Melting Point | 135 - 138°C |
Logp | 4.59 (predicted) |
Solubility | Soluble in DMSO, Methanol |
Pka | 12.48±0.40 (Predicted) |
Flash Point | 326.3°C (predicted) |
Density | 1.244g/cm³ (predicted) |
What is the chemical structure of 4-Amino-5-Chloro-2-Ethoxy-N- ((4- (4-Fluorobenzyl) -2-Morpholinyl) Methyl) Benzamide?
This is the chemical name of an organic compound. To clarify its chemical structure, it is necessary to analyze the various parts of the name in detail. "4-Amino-5-Chloro-2-Ethoxy", which means that above the benzene ring, there is an amino group (-NH2O) at the 4th position, a chlorine atom (-Cl) at the 5th position, and an ethoxy group (-OCH ² CH) at the 2nd position. "N - ((4 - (4 - Fluorobenzyl) - 2 - Morpholinyl) Methyl) ", this part is the group attached to the nitrogen atom of benzamide. Among them, "4 - (4 - Fluorobenzyl) " means that a 4-fluorobenzyl group (4 - F - C H - CH ² -) is connected to a structure; "2 - Morpholinyl" indicates that there is a morpholine ring, and the substituent is located in the second position; "Methyl" indicates that the morpholine ring is connected to the nitrogen atom of benzamide through methylene (-CH ² -). "Benzamide" indicates that this compound belongs to the benzamide class, that is, the benzene ring is connected to the formamide group (-CONH -). In summary, the chemical structure of this compound is based on benzamide. There are amino group, chlorine atom and ethoxy group at specific positions on the benzene ring, and the nitrogen atom of the formamide group is connected with methylene group containing 4-fluorobenzyl group and 2-substituted morpholine ring. Such a complex structure may have specific properties and uses in the fields of organic synthesis and medicinal chemistry.
What are the main uses of 4-Amino-5-Chloro-2-Ethoxy-N- (4- (4-Fluorobenzyl) -2-Morpholinyl) Methyl) Benzamide?
4-Amino-5-chloro-2-ethoxy-N- ((4- (4-fluorobenzyl) -2-morpholinyl) methyl) benzamide, an organic compound. Its main uses are quite extensive, and it is often regarded as a potential active ingredient in the field of pharmaceutical research and development.
Looking at the development of medicine today, the creation of many new drugs is based on the research of such complex organic compounds. This compound has a unique structure or has a specific biological activity. After many experimental investigations, it may be found that it has an effect on certain disease targets, such as participating in the regulation of specific biochemical reactions and affecting certain cell signaling pathways.
In the journey of modern medicine exploration, researchers have carefully studied its pharmacological properties. Or hope to use in-depth analysis of it to understand the mechanism of its interaction with biological macromolecules, and then develop innovative drugs with excellent efficacy and mild side effects. In the field of cancer treatment research, such compounds may interfere with key processes such as the proliferation and invasion of cancer cells; in the direction of drug development for neurological diseases, they may have a positive impact on the transmission of neurotransmitters, the repair and regeneration of nerve cells.
However, its use is not limited to medicine. In the chemical industry, or can be used as a key intermediate in the synthesis of other complex compounds. Through the ingenious means of organic synthesis, a series of materials with special properties have been derived based on them, which play an important role in some branches of materials science, such as the preparation of functional materials. In short, 4-amino-5-chloro-2-ethoxy-N - (4-fluorobenzyl) -2-morpholinyl) methyl) benzamide has potential application value in the fields of medicine and chemical industry, and is waiting for further exploration and expansion by scientific researchers.
What are the preparation methods of 4-Amino-5-Chloro-2-Ethoxy-N- (4- (4-Fluorobenzyl) -2-Morpholinyl) Methyl) Benzamide?
The method for preparing 4-amino-5-chloro-2-ethoxy-N- ((4- (4-fluorobenzyl) -2-morpholinyl) methyl) benzamide is commonly used as follows.
First, the corresponding benzoyl chloride derivative is condensed with a nitrogen-containing heterocyclic amine compound. First, take a suitable benzoyl chloride. This benzoyl chloride needs to be substituted with an amino group, a chlorine atom, and an ethoxy group at a specific position in the benzene ring. Mix it with the modified amine compound containing fluorobenzyl and morpholinyl structures. In a suitable organic solvent, such as dichloromethane, N, N-dimethylformamide, etc., add an appropriate amount of base, such as triethylamine, pyridine, etc., to promote the reaction. The alkali can neutralize the hydrogen chloride generated by the reaction and promote the balance to move in the direction of the product. The reaction temperature depends on the specific reactant activity, generally between room temperature and 50 ° C, and the reaction time is about several hours to ten hours. By monitoring the reaction process, such as using thin-layer chromatography (TLC), when the raw material reaction is complete, it can be separated and purified by means of extraction, washing, drying and column chromatography to obtain the target product.
Second, through the strategy of gradually constructing the benzamide skeleton. First, benzene ring derivatives are used as the starting material, chlorine atoms are introduced into the benzene ring through halogenation reaction, and suitable halogenating reagents, such as thionyl chloride and phosphorus trichloride, are used under appropriate reaction conditions. Then nitro is introduced through nitrification reaction, and the mixed acid of concentrated nitric acid and concentrated sulfuric acid is used as the nitrifying reagent to control the reaction temperature and time to avoid excessive nitrification. Nitro is then reduced to amino groups. Commonly used reducing agents include iron powder, zinc powder and other acidic reduction systems under acidic conditions, or catalytic hydrogenation methods are used, with palladium carbon as the catalyst and hydrogen as the reducing agent. After that, ethoxy is introduced through etherification reaction, and ethanol and suitable bases, such as potassium carbonate, are selected to react under heating conditions. Finally, the amidation reaction is carried out with the amine compounds containing fluorobenzyl and morpholinyl structures, and the condensation agent, such as 1,3-dicyclohexylcarbodiimide (DCC) and 4-dimethylaminopyridine (DMAP) system, is reacted in an organic solvent. After subsequent separation and purification operations, 4-amino-5-chloro-2-ethoxy-N - (4-fluorobenzyl) -2-morpholinyl) methyl) benzamide is obtained.
These two types of methods are common preparation methods. In practice, the selection needs to be weighed according to many factors such as the availability of raw materials, the ease of control of reaction conditions, and the cost. Each step of the reaction needs to accurately control the reaction conditions to achieve higher yield and purity.
What are the physicochemical properties of 4-Amino-5-Chloro-2-Ethoxy-N- ((4- (4-Fluorobenzyl) -2-Morpholinyl) Methyl) Benzamide?
4-Amino-5-chloro-2-ethoxy-N- ((4- (4-fluorobenzyl) -2-morpholinyl) methyl) benzamide, which is an organic compound. It has some physical and chemical properties.
Looking at its solubility, this compound exhibits a certain solubility in common organic solvents such as dichloromethane, N, N-dimethylformamide. Because of its molecular structure, it contains not only lipophilic aryl and alkyl parts, but also amide and morpholinyl groups with certain polarities, so it has this performance in organic solvents. In water, its solubility is rather limited, due to the predominance of the hydrophobicity of the overall molecular structure.
When it comes to the melting point, it has been experimentally determined that the melting point of the compound is in a specific range. This property is closely related to the intermolecular forces, and the intermolecular hydrogen bonds, van der Waals forces and other interactions between molecules jointly determine its melting point value. The amide bonds in the molecule can form intermolecular hydrogen bonds, enhance the intermolecular forces, and maintain the melting point at a certain height.
In terms of stability, the compound is relatively stable under conventional conditions. However, if placed in a strong acid, strong alkali environment, or under extreme conditions such as high temperature and light, its structure may change. Due to some chemical bonds in the molecule, such as amide bonds, hydrolysis is possible under the action of strong acids or bases; while light or high temperature may trigger reactions such as electronic transitions and bond breaks and rearrangements within the molecule.
In addition, the physical and chemical properties of the compound are also affected by its crystal form. Different crystal forms may lead to differences in its solubility, melting point and other properties. This is due to the different molecular arrangements in the crystal structure, and the distribution and intensity of intermolecular forces are also different.
Overall, the physical and chemical properties of 4-amino-5-chloro-2-ethoxy-N - ((4- (4-fluorobenzyl) -2-morpholinyl) methyl) benzamide, determined by its unique molecular structure, exhibit diverse changes under different conditions.
4-Amino-5-Chloro-2-Ethoxy-N- ((4- (4-Fluorobenzyl) -2-Morpholinyl) Methyl) Benzamide in the market prospects?
4-Amino-5-chloro-2-ethoxy-N- ((4- (4-fluorobenzyl) -2-morpholinyl) methyl) benzamide is a rather complex organic compound. Looking at today's market, such compounds often appear in the field of pharmaceutical research and development.
In the frontier exploration of medicine, many researchers are committed to searching for molecules with unique pharmacological activities, and this compound may attract the attention of many pharmaceutical companies and scientific research institutions due to its structural properties. Due to its specific atomic combination and spatial structure, or the potential to interact with specific targets in organisms, it is expected to become a lead compound for new drugs.
However, at the market circulation level, because it is still in the stage of research and development, it is rarely seen in conventional commercial circulation. Or only synthesized in small quantities in specific laboratories and scientific research institutions for in-depth study of pharmacological mechanisms, pharmacokinetics and other characteristics.
Furthermore, the synthesis of this compound is also quite challenging, requiring fine organic synthesis techniques and harsh reaction conditions. From the selection of starting materials to the precise regulation of each step of the reaction, deep professional knowledge and rich practical experience are required. Therefore, even in the field of scientific research, its synthesis and research progress has not been achieved overnight, but has been advancing steadily. To see its large-scale application and wide circulation in the market, it may take time, and researchers need to make unremitting efforts to overcome many technical and safety problems in order to achieve its leap from laboratory to clinical application.