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What is the chemical structure of N- [ (4,6-dimethoxypyrimidine-2-yl) carbamoyl] -3- (trifluoromethyl) pyridine-2-sulfonamide
This is a problem of structural analysis of organic compounds. The name of this compound is complex and contains many substituents, so its structure needs to be analyzed according to the naming rules.
"N- [ (4,6-diethoxybenzoyl-2-yl) aminoethylbenzenesulfonyl] -3- (trifluoromethyl) pyridine-2-sulfonamide", starting from the name, the pyridine ring is the core parent nucleus. The pyridine ring has trifluoromethyl at the 3rd position and sulfonamide at the 2nd position.
"N - [ (4,6-diethoxybenzoyl-2-yl) aminoethylbenzenesulfonyl]" part, the benzene ring has diethoxy at 4 and 6 positions, and the benzyl group is connected to the aminoethylbenzenesulfonyl group, which is then connected to the nitrogen atom of the sulfonamide group at the 2 position of the pyridine ring.
According to the text of "Tiangong Kaiwu", the structure of this compound is exquisite and complex, and the groups are connected in sequence, such as artifacts carefully constructed by skilled craftsmen. The positions of each substituent are distinct, on the pyridine ring and the benzene ring, they interact with each other and cooperate to form a unique chemical structure, which is like the fusion of natural creation and artificial technology, resulting in the unique appearance of this organic compound.
What is the main use of N- [ (4,6-dimethoxypyrimidine-2-yl) carbamoyl] -3- (trifluoromethyl) pyridine-2-sulfonamide
N- [ (4,6-diethoxybenzoyl-2-yl) aminoethylbenzyl] -3- (trifluoromethyl) pyridine-2-sulfonamide This substance has a wide range of main uses. In the field of medicine, it is often used as a key active ingredient to develop drugs for the treatment of specific diseases. Due to its unique chemical structure, it can precisely act on human physiological mechanisms, or can regulate specific cell signaling pathways, and play a therapeutic effect on certain diseases.
In the field of pesticides, it also has important applications. Or by virtue of its special properties, it can become an active ingredient of pesticides, showing inhibitory or killing effects against specific pests or pathogens, helping agricultural pest control, and ensuring crop yield and quality.
In addition, in the field of materials science, it may also be used as a synthetic intermediate of functional materials. Through specific chemical reactions, it participates in the construction of materials with special properties, such as materials with unique optical, electrical or mechanical properties, to meet the needs of different fields for special materials.
This substance plays an important role in many important fields and is of great significance to promote the development of related fields.
What are the synthesis methods of N- [ (4,6-dimethoxypyrimidine-2-yl) carbamoyl] -3- (trifluoromethyl) pyridine-2-sulfonamide
To prepare N - [ (4,6 - diethoxypyrimidine - 2 - yl) carbamoyl] - 3 - (trifluoromethyl) pyridine - 2 - carboxylic acid methyl ester, the method is as follows:
First take 4,6 - diethoxypyrimidine - 2 - amine, react it with phosgene or triphosgene in a suitable solvent at a certain temperature to generate the corresponding isocyanate. This step requires attention to the control of reaction temperature and time. If the temperature is too high or the time is too long, it may cause side reactions and lead to impure products.
Another 3- (trifluoromethyl) pyridine-2-carboxylic acid is taken, and an appropriate alcohol, such as methanol, is esterified under the action of a catalyst such as concentrated sulfuric acid or p-toluenesulfonic acid, to obtain 3- (trifluoromethyl) pyridine-2-carboxylic acid methyl ester. During this esterification process, attention should be paid to the amount of catalyst and the moisture control of the reaction system to avoid affecting the esterification yield.
Then, the isocyanate obtained above is reacted with 3- (trifluoromethyl) pyridine-2-carboxylic acid methyl ester in a suitable solvent under alkali catalysis. After a certain period of time, the target product N - [ (4,6-diethoxypyrimidine-2-yl) carbamoyl] -3- (trifluoromethyl) pyridine-2-carboxylic acid methyl ester can be obtained. After the reaction, the product can be purified by conventional separation and purification methods, such as extraction, column chromatography, etc., to improve the purity of the product. The whole synthesis process needs to carefully control the reaction conditions of each step in order to obtain ideal yield and purity.
What are the physicochemical properties of N- [ (4,6-dimethoxypyrimidine-2-yl) carbamoyl] -3- (trifluoromethyl) pyridine-2-sulfonamide
This is a class of compounds of N- [ (4,6-diethoxybenzoyl-2-yl) aminobenzoyl] -3- (trifluoromethyl) pyridine-2-carboxylic acids. Its physical and chemical properties are as follows:
In appearance, such compounds are often in a crystalline solid state, which is caused by the orderly arrangement of intermolecular forces. The color may be white to light yellow, and the purity and impurity conditions will slightly affect the color.
In terms of melting point, different substituents and structural differences will have different melting points, but the approximate range is often within a certain range, and the specific structure needs to be experimentally determined according to the precise structure. The melting point can reflect the strength of the intermolecular force. The stronger the force, the higher the melting point.
In terms of solubility, because it contains polar groups and some non-polar structures, it shows a certain solubility in organic solvents, such as dichloromethane, N, N-dimethylformamide (DMF), etc. Polar groups interact with organic solvent molecules to facilitate dissolution; the non-polar part limits its dissolution in polar strong solvents such as water, and its solubility in water is poor.
In terms of stability, it is relatively stable under normal conditions. In case of extreme conditions such as strong acids, strong bases or high temperatures and strong oxidants, some chemical bonds in the molecular structure may break or rearrange. Due to the structure of benzene ring and pyridine ring, these structures have certain aromatic properties and stability, but the functional groups such as ester group and amide group can be hydrolyzed under specific conditions. The spectral properties of
are quite significant. In infrared spectroscopy, carbonyl (C = O) will have strong absorption peaks in a specific wavenumber range, which can be used to identify the existence of carbonyl groups in molecules; the carbon-carbon double bond vibration of benzene ring and pyridine ring also produces characteristic absorption peaks. In hydrogen nuclear magnetic resonance spectroscopy (HNMR), hydrogen atoms in different chemical environments will peak at the corresponding chemical shifts, and the peak area is related to the number of hydrogen atoms, which can help to determine the chemical environment and number of hydrogen atoms in the molecule, and then analyze the molecular structure.
What are the precautions for the use of N- [ (4,6-dimethoxypyrimidine-2-yl) carbamoyl] -3- (trifluoromethyl) pyridine-2-sulfonamide
N- [ (4,6-diethoxybenzoyl-2-yl) aminoethylbenzyl] -3- (trifluoromethyl) pyridine-2-carboxylic acid During use, the following key matters should be paid attention to.
First, this substance has certain chemical activity and must strictly follow established experimental procedures and safety guidelines during operation. Because its structure contains specific chemical groups, it is very likely to cause unexpected chemical reactions when interacting with other chemical reagents. For example, compounds containing trifluoromethyl groups sometimes exhibit unique reaction characteristics and may react violently with some common reagents, so before mixing operations, it is necessary to fully study their chemical properties to ensure that the reaction conditions are suitable and safe.
Second, its storage conditions are crucial. Due to the presence of various chemical structures in the compound, it is quite sensitive to environmental factors. It should be stored in a dry, cool and well-ventilated place to avoid moisture, heat and light. Moisture may cause some groups to hydrolyze, and high temperature and light are very likely to cause decomposition or structural changes of the compound, which in turn affects its quality and performance.
Third, during use, protective measures are indispensable. It is necessary to wear appropriate protective equipment, such as laboratory clothes, gloves and goggles. Due to its complex chemical structure, some ingredients may cause irritation to human skin, eyes and respiratory tract, so good protection can effectively avoid direct contact with them and reduce the risk of harm to the human body.
Fourth, when dealing with the waste of this compound, it must be strictly implemented in accordance with relevant environmental protection regulations. It cannot be discarded at will, because the chemical elements it contains may cause pollution to the environment. Appropriate treatment methods should be selected according to the characteristics of the compound, such as harmless treatment through specific chemical methods, to ensure that the impact on the environment is minimized.