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What is the chemical structure of 2- (4-Morpholinyl) -4-pyridinecarboxylic acid tert -butyl ester
This is the chemical structure of tert-butyl 2 - (4 - morpholinyl) - 4 - pyridine carboxylic acid ester. To understand the details, we need to analyze its name first. "2 - (4 - morpholinyl) ", which refers to the morpholine group attached to the second position of the pyridine ring. Morpholine, a six-membered heterocycle containing nitrogen and oxygen, has a specific electron cloud distribution and spatial conformation. "4 - pyridine carboxylic acid", indicating that the fourth position of the pyridine ring is connected with a carboxyl group, which is acidic and can participate in many reactions, such as ester formation, salt formation, etc. "Tert-butyl ester", that is, the carboxyl group forms an ester with t-butanol. Tert-butyl has a large steric resistance, which can affect the physical and chemical properties of molecules.
Looking at its overall structure, the pyridine ring is a planar conjugated system, which endows the molecule with certain stability and electron delocalization characteristics. The morpholine group is attached to the pyridine ring, or affects the electron cloud density of the pyridine ring, which in turn affects its reactivity. After the carboxyl group is formed into the tert-butyl ester, the polarity of the carboxyl group itself is changed, and the steric resistance of the tert-butyl group can hinder the progress of some reactions between molecules, or affect the aggregation state of the molecule in a specific environment. The uniqueness of this structure makes it useful in the fields of organic synthesis, medicinal chemistry, etc. It can be used as an intermediate to participate in the construction of more complex compounds, or it can exhibit unique biological activities due to its specific structure and properties.
What are the main uses of 2- (4-Morpholinyl) -4-pyridinecarboxylic acid tert -butyl ester
2-%284-Morpholinyl%29-4-pyridinecarboxylic acid tert-butyl ester is a significant compound in the field of organic synthesis. It has a wide range of main uses and plays a key role in many aspects.
In the field of medicinal chemistry, this compound is often used as an important synthetic intermediate. The drug development process is like a carefully carved work of art, requiring many precise and critical steps. With its unique chemical structure, 2-%284-Morpholinyl%29-4-pyridinecarboxylic acid tert-butyl ester can ingeniously participate in various reactions, laying the foundation for the construction of complex molecular structures with specific pharmacological activities. The birth of many new drugs depends on its indispensable role in the synthesis route, helping chemists to create powerful weapons against diseases.
In the field of materials science, it has also made a name for itself. The improvement and innovation of material properties are related to progress in many fields. This compound can be introduced into the material system by specific methods to impart special electrical, optical or mechanical properties to the material. For example, in the preparation of some advanced functional materials, its participation in the reaction can regulate the microstructure of the material, thereby optimizing the properties of the material, and meeting the stringent needs of high-performance materials in fields such as electronic devices and optical devices.
In the research and exploration of organic synthetic chemistry, 2-%284-Morpholinyl%29-4-pyridinecarboxylic acid tert-butyl ester as a classic reaction substrate, providing an opportunity for chemists to deeply explore the reaction mechanism and develop novel synthesis methods. By studying the various reactions they participate in, we can expand the boundaries of organic synthesis, enrich synthesis strategies, and promote the continuous development of organic chemistry, opening up new paths for the synthesis of more complex and unique organic compounds.
2- (4-Morpholinyl) -4-pyridinecarboxylic acid tert -butyl ester
To prepare tert-butyl 2- (4-morpholinyl) -4-pyridinecarboxylate, organic synthesis is often followed. There are three methods, which are described in detail below.
One is to start with a compound containing a pyridine structure. First, the carboxyl group is introduced into the fourth position of the pyridine ring, which can be achieved by nucleophilic substitution or oxidation reaction. Then, the 4-morpholinyl group is introduced into the second position. This step may require a metal-catalyzed coupling reaction, such as a palladium-catalyzed amination reaction, to connect the halogenated pyridine to the morpholine derivative. Finally, the carboxyl group is converted into tert-butyl ester, and the carboxyl group is esterified with tert-butyl alcohol under the action of condensation agents such as dicyclohexyl carbodiimide (DCC) and catalyst 4-dimethylaminopyridine (DMAP) to obtain the target product.
Second, we can start from morpholine derivatives. The nitrogen atom of the morpholine is properly protected first, and then reacts with pyridine and carboxyl precursors. If the protected morpholine and halopyridine undergo nucleophilic substitution under the action of base, the intermediate of 2- (4-protected morpholine) pyridine is formed. Then through deprotection, carboxyl esterification and other steps, tert-butyl pyridine carboxylate is prepared by esterification of tert-butyl alcohol under suitable conditions.
Third, the strategy of constructing a pyridine ring can also be passed. With appropriate nitrogen-containing and carbonyl-containing compounds, the pyridine ring is constructed by multi-step reaction. For example, the Hantzsch pyridine synthesis method is used to prepare the pyridine ring first, and a carboxyl group and a suitable substituent are introduced into the ring. Later, the functional group is converted to introduce 4-morpholine group and convert the carboxyl group into tert-butyl ester, so as to achieve the synthesis of the target molecule.
Each of these methods has its own advantages and disadvantages, and the choice needs to be weighed against factors such as raw material availability, reaction conditions, and cost.
What are the physical properties of 2- (4-Morpholinyl) -4-pyridinecarboxylic acid tert -butyl ester
Tert-butyl 2-% (4-morpholinyl) -4-pyridyl carboxylate, this substance has different properties and is related to its physical properties. Let me explain in detail.
Looking at its shape, it is often white to white solid powder, with a fine texture, like the first snow in winter, quiet and pure. Its color is pure, without variegated contamination, showing a pure state.
When it comes to the melting point, it is about a specific temperature range, and this temperature limit is the key node of its transition from solid to liquid. When the external temperature gradually rises to the melting point range, the lattice structure of the substance begins to loosen, the intermolecular force weakens, and then slowly melts into a liquid state, just like ice and snow in spring, quietly turning into babbling water.
Solubility is also an important physical property. In common organic solvents, such as dichloromethane, N, N-dimethylformamide, its solubility is quite impressive. In the embrace of these solvents, the molecules can be dispersed and uniformly fused, just like a fish entering water, free and smooth. However, in water, the solubility is relatively inferior. Due to its molecular structure characteristics, it is difficult to form a homogeneous solution due to limited interaction with water molecules.
In addition, the density of this substance also has a specific value, which reflects its mass per unit volume. Its density is closely related to the type of atoms and the arrangement of molecules, just like the arrangement of the cornerstones of a building, which determines the overall weight distribution.
And because of the specific functional groups in its molecules, it is endowed with certain stability. Under normal environmental conditions, it can maintain its own structure and properties constant for a long time, and is not easy to deteriorate due to slight external interference, just like a stable old man, who has not wavered through wind and rain. In case of extreme chemical environments such as strong acids and alkalis, the structure may be damaged and corresponding chemical changes will occur, which is the subtlety of its physical properties.
2- (4-Morpholinyl) -4-pyridinecarboxylic acid tert -butyl ester in the market price range
Today, there are 2 - (4 - morpholinyl) - 4 - tert-butyl pyridinecarboxylate in the market, what is the price? This is a fine chemical, often used in the field of pharmaceutical synthesis, but its price is subject to multiple factors.
First, the purity is related to the price. If the purity is high, it is almost pharmaceutical grade, and there are few impurities, it can be accurately used in high-end pharmaceutical research and development and production, and its price is high. Industrial grade, with slightly lower purity or some impurities, is only suitable for general chemical synthesis, and the price is slightly lower.
Second, the market supply and demand situation also has an impact. If pharmaceutical R & D companies increase the amount of the drug for a while, the demand exceeds the supply, and the price will rise; on the contrary, the supply exceeds the demand, and the price may drop.
Third, the production process is also the key to the price. If complex steps, expensive raw materials and harsh reaction conditions are required, the cost will be high, and the selling price will also be high; if the process is simple, the cost will drop, and the price will also drop.
Fourth, the source is different from the supplier, and the price is also different. Overseas imports, or due to customs duties, transportation costs, etc., may be higher than local producers. Different suppliers offer different prices due to differences in their own cost control and market strategies.
According to past market conditions, low-purity, industrial-grade products cost tens of yuan per gram; high-purity, pharmaceutical-grade products cost hundreds of yuan per gram, or even higher. However, the market is changing, and real-time prices need to be detailed with chemical raw material suppliers, reagent sales platforms or related industry personnel to obtain accurate prices.