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What is the chemical structure of 3- [ (4-quinolinomethyl) amino] -N- [4- (trifluoromethoxy) phenyl] -2-thiophenoformamide
The chemical structure of 3- [ (4-p-methoxybenzyl) amino] -N- [4- (trifluoromethoxy) phenyl] -2-quinoxaline formamide is described in detail.
The core structure of this compound is a quinoxaline ring, which is connected to a formamide group at the 2-position. The quinoxaline ring is formed by fusing two adjacent nitrogen atoms with the benzene ring and has a rigid planar structure. It is very important in the fields of organic synthesis and medicinal chemistry. < Br >
A nitrogen-containing side chain is connected at the 3-position, and this side chain is connected to the (4-p-methoxybenzyl) group with an amino group as the connection point. In p-methoxybenzyl, the benzyl group has a benzyl structure, and its phenyl ring para-position is replaced by methoxy group. Methoxy is a power supply sub-group, which can affect the electron cloud distribution and physical and chemical properties of the molecule.
Connects [4- (trifluoromethoxy) phenyl] group at the N-position. Trifluoromethoxy has strong electron absorption and can significantly affect the lipophilicity, electron density and biological activity of the molecule. The phenyl group is connected to the quinoxaline ring, which expands the conjugate system of the molecule and affects the stability and optical properties of the molecule.
Overall, the structure of the compound fuses different functional groups, and each group interacts, endowing the compound with unique physical, chemical and biological properties, or showing specific application value in drug development, materials science and other fields.
What are the main physical properties of 3- [ (4-quinolinomethyl) amino] -N- [4- (trifluoromethoxy) phenyl] -2-thiophenoformamide
3 - [ (4 - benzylbenzyl) amino] - N - [4 - (triethoxy) phenyl] - 2 - naphthalamide, which has the following main physical properties:
Its appearance is often a crystalline solid form, which is due to the orderly arrangement of molecules through van der Waals forces and other interactions to form a lattice structure. Under normal temperature and pressure, it is relatively stable and is not prone to spontaneous decomposition or significant physical changes.
In terms of melting point, it is usually in a certain temperature range, which is of great significance for the identification of this compound. When the temperature rises to the melting point, the molecule obtains enough energy to overcome the lattice energy, the lattice structure is destroyed, and the substance changes from a solid state to a liquid state.
In terms of solubility, it has a certain solubility in organic solvents such as dichloromethane and chloroform. This is because the molecular structure of the compound contains organic groups, and there is a similar intermolecular force between organic solvent molecules, following the principle of "similar phase dissolution". However, the solubility in water is poor. Due to the large difference between the hydrogen bond network formed between water molecules and the intermolecular force of the compound, it is difficult to disperse and dissolve it.
The density is similar to that of common organic compounds, depending on its molecular composition and accumulation mode. The type, number and spatial arrangement of atoms in a molecule jointly determine its density, providing a theoretical basis for its phase distribution and separation in practical applications.
These physical properties are of great significance in chemical synthesis, drug development and other fields. For example, in drug development, melting point and solubility affect the preparation process and in vivo absorption of drugs; in chemical synthesis, these properties help to screen reaction conditions and separate and purify products.
In which fields is 3- [ (4-quinolinyl methyl) amino] -N- [4- (trifluoromethoxy) phenyl] -2-thiophenoformamide used?
3-%5B%284-%E5%96%B9%E5%95%89%E5%9F%BA%E7%94%B2%E5%9F%BA%29%E6%B0%A8%E5%9F%BA%5D-N-%5B4-%28%E4%B8%89%E6%B0%9F%BA%E6%B0%A7%E5%9F%BA%29%E8%8B%AF%E5%9F%BA%5D-2-%E5%99%BB%E5%90%A9%E7%94%B2%E9%85%B0%E8%83%BA, this is a rather complex chemical substance. It has applications in many fields, let me tell you one by one.
In the field of medicine, it may have unique pharmacological activities. Or it can act on specific targets of human cells through specific chemical reactions, so as to achieve the purpose of treating diseases. For some difficult diseases, through in-depth research and experiments, its potential therapeutic effect may be tapped, bringing new hope to patients.
In the field of materials science, its structural properties may make it a key raw material for the preparation of high-performance materials. After special processing, it may improve the strength, toughness and other properties of materials, and play an important role in aerospace, automobile manufacturing and other industries that require strict material properties, and help related industries to innovate.
In the field of agriculture, it may be used as a new type of pesticide or plant growth regulator. With its unique chemical properties, it may be able to effectively resist pests and diseases, promote crop growth, improve crop yield and quality, and contribute to sustainable agricultural development.
In the field of environmental science, it may participate in specific environmental purification processes. Or it has the functions of adsorption and decomposition of certain pollutants, helping to solve environmental pollution problems and contributing to the improvement of the ecological environment.
However, its application also needs to be cautious. Due to its complex chemical structure, its safety and environmental impact need to be deeply studied during use to ensure reasonable and safe application, so as to avoid adverse consequences to human health and ecological environment.
What is the synthesis method of 3- [ (4-quinolinyl methyl) amino] -N- [4- (trifluoromethoxy) phenyl] -2-thiophenoformamide
To prepare 3- [ (4 -benzyloxy benzyl) amino] -N - [4 - (trifluoromethoxy) phenyl] -2 -pyridineformamide, the synthesis method is as follows:
The starting material can be selected as a suitable starting material, and 4- (trifluoromethoxy) aniline is an important starting material. First, it is modified with appropriate protective groups to prevent unnecessary side reactions. At the same time, 4-benzyloxy benzyl chloride can be prepared from 4-benzyloxy benzyl alcohol by chlorination reaction. < Br >
After protection, 4- (trifluoromethoxy) aniline and 4-benzyloxy benzyl chloride are combined in a suitable solvent, such as N, N-dimethylformamide (DMF), and nucleophilic substitution reaction is carried out under the action of alkali, such as potassium carbonate, to generate the corresponding N-substituted product. During the reaction, attention should be paid to the control of temperature and reaction time. Generally, the temperature can be controlled at 50-80 ° C for several hours. The reaction process is monitored by thin-layer chromatography (TLC). When the raw material point disappears, the reaction is completed.
After that, the construction of pyridine formamide fragments is carried out. Using 2-pyridinecarboxylic acid as the starting material, after activation, the corresponding acid chloride is formed by reacting with oxalyl chloride, and then the product obtained in the previous step is amidated in a solvent such as dichloromethane in the presence of a suitable base, such as triethylamine. The reaction temperature of this step can be controlled at 0-25 ℃, and the reaction is also monitored by TLC until the reaction is complete.
Finally, the product is purified by means of column chromatography, and a suitable eluent, such as petroleum ether and ethyl acetate mixed solvent, is used to purify the product according to the difference in polarity between the product and the impurity, so as to obtain pure 3- [ (4-benzyloxy benzyl) amino] -N- [4- (trifluoromethoxy) phenyl] -2 -pyridineformamide. After each step of reaction, the structure of the product needs to be characterized, such as nuclear magnetic resonance (NMR), mass spectrometry (MS), etc., to confirm the correctness of the product.
What are the safety and toxicity of 3- [ (4-quinolinomethyl) amino] -N- [4- (trifluoromethoxy) phenyl] -2-thiophenoformamide
3 - [ (4 - p-hydroxybenzyl) amino] - N - [4 - (triethoxy) phenyl] - 2 - nitrobenzamide is a complex and rigorous issue related to its safety and toxicity.
Structurally, the compound contains various functional groups such as nitro and amino groups. Nitro groups are often toxic because of their complex metabolism in the body, or the production of active intermediates, which interact with biological macromolecules, causing adverse consequences such as cell damage and gene mutation. Although amino groups are relatively active and participate in many biochemical reactions, they may also cause toxic effects under specific chemical environments.
In terms of safety analysis, in the environment, its stability, degradability and potential impact on the ecosystem need to be considered. If it is difficult to degrade or accumulates in the environment, it will harm organisms. In organisms, its absorption, distribution, metabolism and excretion processes are also critical. Absorption pathways or oral administration, skin contact, respiratory inhalation, etc. Different pathways have different effects. Distribution or enrichment in specific organs and tissues, affecting their function. Metabolism or production of more toxic products, if the excretion is not smooth, there is also toxicity in the body.
Discusses toxicity, acute toxicity or short-term serious physiological abnormalities of organisms, such as organ dysfunction, neurotoxic symptoms, etc. Long-term chronic toxicity is more subtle, or carcinogenic, reproductive toxicity, developmental toxicity, etc. The benzene ring structure and complex substituents of this compound may increase its lipophilicity, easily penetrate the biofilm, interact with key intracellular targets, and cause toxicity.
In summary, in order to clarify the safety and toxicity of 3- [ (4-p-hydroxybenzyl) amino] -N - [4 - (triethoxy) phenyl] -2-nitrobenzamide, comprehensive experimental studies are required, including in vitro cell experiments, animal experiments, etc., to accurately evaluate and provide a solid safety basis for its application in industry, medicine and other fields.