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What is the main use of 1- (TERT-BUTYL) 4-ETHYL TETRAHYDRO-1,4 (2H) -PYRIDINEDICARBOXYLATE
1- (tert-butyl) -4-ethyltetrahydro-1,4 (2H) -pyridinedicarboxylate has a wide range of uses. In the field of organic synthesis, it is often used as a key intermediate. Due to its unique molecular structure and reactive activity check point, many organic compounds with different structures and functions can be derived through various chemical reactions.
In the field of medicinal chemistry, its importance should not be underestimated. In the process of many drug development, this material is used as the starting material or structural fragment, and after chemical modification and optimization, new active compounds may be created, paving the way for the birth of new drugs. Due to its structural properties, it may endow drugs with specific pharmacological activities and improve pharmacokinetic properties, such as improving bioavailability and stability.
Furthermore, in the field of materials science, based on this compound, through specific polymerization reactions or chemical modification, materials with special properties may be prepared. For example, it can improve the mechanical properties, thermal stability, optical properties of materials, etc., and has potential applications in polymer materials, functional materials, etc. In conclusion, 1- (tert-butyl) -4-ethyltetrahydro-1,4 (2H) -pyridinedicarboxylate has shown important application value in many fields such as organic synthesis, drug research and development, and materials science due to its unique structure, providing a key material foundation for technological innovation and development in various fields.
What are the synthesis methods of 1- (TERT-BUTYL) 4-ETHYL TETRAHYDRO-1,4 (2H) -PYRIDINEDICARBOXYLATE
To prepare 1- (tert-butyl) -4-ethyltetrahydro-1,4 (2H) -pyridine dicarboxylate, there are many methods, each with advantages and disadvantages. The choice of method depends on the actual situation.
First, pyridine is used as the starting material and obtained by multi-step reaction. Shilling pyridine and suitable halogenated hydrocarbons under the catalysis of bases undergo nucleophilic substitution reaction, and tert-butyl is introduced at the first position of pyridine. This step requires careful selection of halogenated tert-butane and base, and control of reaction temperature and duration to increase yield and reduce side reactions. Subsequently, the fourth position of the pyridine ring is guided by a specific positioning group, using halogenated ethane as the raw material, and then introducing ethyl through nucleophilic substitution. In this process, attention should be paid to the selection of positioning groups and subsequent removal to avoid impurities. Finally, the pyridine ring is hydrogenated to tetrahydropyridine ring, and carboxyl groups are introduced at positions 1 and 4 to form tert-butyl ester and ethyl ester respectively. The control of hydrogenation conditions is crucial, such as hydrogen pressure, catalyst type and dosage, which all affect the structure and purity of the product.
Second, piperidine derivatives containing specific substituents are used as raw materials. If the raw material has suitable substituents at positions 1 and 4 of the piperidine ring, only the substituents need to be modified and converted into ester groups. If there is a suitable tert-butyl substitution at 1 position and a group that can be converted into ethyl ester at 4 positions, the target product can be formed through a specific esterification reaction. This route step may be relatively simple, but the raw materials are rare or need to be prepared by yourself.
Third, the pyridine ring is constructed by cyclization reaction. A chain compound containing tert-butyl, ethyl and functional groups that can be cyclized is used as the starting material. Under suitable reaction conditions, the pyridine ring is cyclized within the molecule, and the carboxyl group is formed at the 1,4 positions at the same time. This cyclization reaction requires clever design of the structure of the starting material and precise regulation of the reaction conditions, such as temperature, solvent, catalyst, etc., to promote the cyclization reaction to proceed in the expected direction and obtain the target product.
What are the physicochemical properties of 1- (TERT-BUTYL) 4-ETHYL TETRAHYDRO-1,4 (2H) -PYRIDINEDICARBOXYLATE
1 - (tert-butyl) -4-ethyltetrahydro-1,4 (2H) -pyridinedicarboxylate, which is an organic compound. Its physical and chemical properties are quite important and affect many chemical application fields.
In terms of its physical properties, under normal temperature and pressure, it usually appears in a liquid or solid state, depending on the intermolecular forces and crystal structure. Its melting point is a key physical property. The melting point is affected by the intermolecular forces. The stronger the intermolecular forces, the higher the melting point. For example, strong interactions such as hydrogen bonds in molecules will significantly increase the melting point. The boiling point is also closely related to the intermolecular forces and is also affected by external pressures. Generally speaking, when the pressure decreases, the boiling point also decreases.
In terms of solubility, the compound has different performances in different solvents due to its molecular structure containing polar and non-polar parts. In polar solvents such as water, its solubility may be limited due to the non-polar part of the molecule; while in non-polar or weakly polar organic solvents such as dichloromethane and chloroform, its solubility may be better, following the principle of "similar miscibility".
From the perspective of chemical properties, the molecule contains ester groups, which are functional groups with active chemical properties. Ester groups can undergo hydrolysis reactions, and the hydrolysis process is different under acidic or alkaline conditions. Acidic conditions are reversible reactions to form carboxylic acids and alcohols; alkaline conditions are more thorough hydrolysis to form carboxylic acids and alcohols. In addition, this compound can participate in esterification, substitution and other reactions under suitable conditions, depending on the reaction conditions and the reagents encountered. Its chemical stability is determined by the molecular structure, and some bond energies in the structure affect the stability. High bond energies give good stability.
1- (TERT-BUTYL) 4-ETHYL TETRAHYDRO-1,4 (2H) -PYRIDINEDICARBOXYLATE What is the price range in the market?
What Guan Jun is inquiring about is that 1- (tert-butyl) -4-ethyltetrahydro-1,4 (2H) -pyridinedicarboxylate is in the market price range. However, the price of this product is difficult to hide, because many factors are intertwined, resulting in volatile fluctuations.
First, the price of raw materials is of great significance. The price of various raw materials required for the synthesis of this compound often fluctuates due to changes in origin, season, and supply and demand. If raw materials are scarce, the price will rise, and the cost of this compound will also rise. Its price in the market should be high.
Second, the difficulty of preparation is also the key. Synthesizing this compound may require exquisite craftsmanship and harsh conditions, and the manpower, material resources, and financial resources involved are all costs. If the preparation is not easy and the yield is not high, the price will remain high.
Third, market supply and demand determine the price. If the industry has strong demand for this product but limited supply, merchants will raise prices; conversely, if there is little demand and excess supply, the price will inevitably decline.
Fourth, the difference between manufacturers also has an impact. Different manufacturers have different costs and pricing due to differences in technology, scale, and operation. Large manufacturers may have lower costs due to scale effects and have an advantage in pricing; small manufacturers may have higher prices due to higher costs.
Overall, the market price of this product can be as low as a few hundred yuan per kilogram, and as high as several thousand yuan per kilogram. However, this is only a rough estimate, and the actual price needs to be determined by referring to the market conditions, product specifications, and transaction quantities at the time of specific transactions.
1- (TERT-BUTYL) 4-ETHYL TETRAHYDRO-1,4 (2H) -PYRIDINEDICARBOXYLATE What is the Quality Standard?
1- (tert-butyl) -4-ethyltetrahydro-1,4 (2H) -pyridinedicarboxylate, its Quality Standards are as follows:
First, in terms of appearance, it should appear as a colorless to light yellow clear liquid or a white to off-white crystalline solid. This feature is convenient for preliminary judgment of its quality status by direct observation. If there is a significant color deviation or the presence of foreign matter, it may suggest that the product quality is poor.
In terms of purity, it needs to reach at least 98.0% and be determined by high performance liquid chromatography (HPLC). High purity is the key to ensuring the stable performance of this substance in various applications. Excessive impurity content may interfere with its performance in chemical reactions, or affect the quality of products further prepared from this raw material. For example, in the synthesis of drugs, impurities may cause adverse reactions.
The moisture content shall not exceed 0.5%, and the Karl Fischer method is used for precise determination. Excessive moisture may affect its chemical stability, and may also be a participant in side reactions in some reactions, causing the reaction results to deviate from expectations.
For related substances, a single impurity shall not exceed 0.5%, and the total impurity shall not exceed 2.0%. The same method is used for detection by HPLC. Strict control of related substances is to avoid unpredictable effects of impurities in subsequent use and to ensure the uniformity and reliability of product quality.
If the melting point range is a crystalline solid, it should be [specific melting point range], which can be determined by melting point instrument. Accurate melting point range can be used as one of the important indicators to identify the purity and structural integrity of the substance. If the melting point deviates from the normal range, it may mean that there is a problem with the purity of the substance or the crystal form has changed.
The above Quality Standards are related and restricted to each other, and together ensure the quality of 1- (tert-butyl) -4-ethyltetrahydro-1,4 (2H) -pyridinedicarboxylate, so that it can meet the application needs of different fields.