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What is the chemical structure of Benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate?
The chemical structure of benzyl-4-formyltetrahydro-1 (2H) -pyridinecarboxylate can be described as follows. This compound contains a benzyl moiety, which is benzyl, that is, the structure of benzene ring linked to methylene (-CH 2O -). The benzene ring consists of six carbon atoms in a hexagonal ring structure, each carbon atom is connected to a hydrogen atom, and the carbon atom of the methylene is connected to the specific position in the pyridine ring. The pyridine ring is also a six-membered heterocycle, composed of five carbon atoms and one nitrogen atom. This compound has a tetrahydropyridine structure, which means that part of the double bond in the pyridine ring is reduced to a single bond, and four hydrogen atoms are introduced. The 4-formyl group indicates that a formyl group (-CHO) is connected to the No. 4 position of the pyridine ring. The formyl group is connected by a double bond between a carbon atom and an oxygen atom, and the carbon atom is also connected to a hydrogen atom. The ester group part of the benzyl group is obtained by the esterification reaction between the carboxyl group (-COOH) and the alcohol (here, the alcohol containing benzyl group), that is, the hydroxyl group in the carboxyl group is replaced by the benzoxy group (-OCH -2 Ph) to form the -COOCH -2 Ph structure, which is the chemical structure of benzyl-4-formyltetrahydro-1 (2H) -pyridinecarboxylate.
What are the main uses of Benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate
Benzyl-4-formyltetrahydro-1 (2H) -pyridinecarboxylate has a wide range of uses. In the field of organic synthesis, it is often used as a key intermediate. With its unique structure, it can undergo various reactions to construct various complex organic molecules, just like the cornerstone of building an exquisite castle.
From the perspective of pharmaceutical chemistry, it may have potential biological activity. After modification and transformation, it is expected to create new drugs, help overcome diseases, and seek well-being for human health, just like searching for a cure and saving people. In the field of materials science, it may also be able to participate in the synthesis of materials with special properties, such as materials with specific optical and electrical properties, just like adding new treasures to the material world.
In addition, in the field of academic research, due to its unique structure, it is often the object for researchers to study reaction mechanisms and explore new synthesis methods, just like the key to unlocking the secrets of chemistry, helping scientific research to continuously reach new heights and promoting the vigorous development of chemistry.
What is the synthesis method of Benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate
The synthesis of benzyl 4-formyltetrahydro-1 (2H) -pyridyl carboxylic acid esters is an important matter in organic synthesis. Its synthesis route is often followed by numerical methods.
First, it can be started from a suitable pyridine derivative. First, take the corresponding substituent pyridine, and introduce the tetrahydropyridine structure under specific reaction conditions. If the pyridine containing the suitable substituent is used as the raw material, under a suitable catalyst and reaction environment, the tetrahydropyridine ring is constructed by hydrogenation. This step requires careful selection of catalysts, such as noble metal catalysts, whose activity and selectivity depend on the success or failure of the reaction and the purity of the product.
Next, the formyl group is introduced into the tetrahydropyridine structure. This can be achieved by a classical formylation reaction, such as the Vilsmeier-Haack reaction. With suitable reagents, such as N, N-dimethylformamide and phosphorus oxychloride, at appropriate temperatures and reaction times, specific positions of tetrahydropyridine are formylated to obtain 4-formyltetrahydropyridine intermediates.
Finally, this intermediate is esterified with benzyl alcohol. Appropriate esterification reagents, such as dicyclohexylcarbodiimide (DCC) and 4-dimethylaminopyridine (DMAP), are selected. Under mild reaction conditions, the carboxyl group and the benzyl alcohol hydroxyl group are condensed to form benzyl 4-formyltetrahydro-1 (2H) -pyridyl carboxylate. This process requires attention to the reaction temperature, the ratio of reactants and the pH of the reaction system to ensure that the esterification reaction is efficient and selective, and the product yield and purity are excellent. In this way, after multiple steps of delicate reaction, the target product benzyl 4-formyltetrahydro-1 (2H) -pyridyl carboxylate can be obtained.
What are the physical properties of Benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate
Benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate is an organic compound with unique physical properties.
Its appearance is mostly white to light yellow crystalline powder or solid, which makes it easy to distinguish from others in appearance. In terms of melting point, it is usually in a specific temperature range, such as around [X] ° C. This temperature can help to identify and determine the purity. Due to the narrow melting point range of the purified product, the melting point of the impurity is reduced and the range is wide.
Solubility is also critical. In organic solvents such as chloroform and dichloromethane, it exhibits good solubility. Due to the molecular structure containing lipophilic groups, it has strong interactions with organic solvents; while in water, the solubility is poor. Because it is not a strongly polar molecule, it is difficult to form effective interactions with water molecules.
In addition, the compound has certain stability and can exist stably at room temperature and pressure, but in case of extreme conditions such as strong acid, strong base or high temperature, the structure may change and cause changes in properties. Because it contains specific functional groups, formyl groups and pyridine rings, these parts are chemically reactive and can participate in a variety of reactions, affecting stability.
In terms of density, the relative density [X], although not a common property, may have applications in specific fields, such as chemical production material calculation and separation.
In short, the physical properties of benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate are crucial for its application in organic synthesis, drug development and other fields.
What are the chemical properties of Benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate
Benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate, this is an organic compound. Its chemical properties are unique and have multiple key characteristics.
First, it contains a formate group, which is active in nature and can participate in hydrolysis reactions. When exposed to water and there is a suitable catalyst, the ester bond is easily broken, resulting in the formation of corresponding carboxylic acids and alcohols. This hydrolysis property is of great significance in organic synthesis, and can be used to prepare specific carboxylic acids or alcohols.
Second, the formyl group in the molecule is also extremely active. Formalyl groups have typical aldehyde properties and can undergo many reactions. For example, it can carry out condensation reactions with compounds containing active hydrogen, such as alcohols and amines, to generate products such as acetals and Schiff bases. It can also be oxidized and converted into carboxyl groups under the action of suitable oxidants, thereby changing the molecular structure and properties.
Furthermore, the structure of the pyridine ring gives the compound a special electronic effect and spatial structure. The nitrogen atom in the pyridine ring has a lone pair of electrons, which makes the pyridine ring appear alkaline and can react with acids to form salts. And the pyridine ring can affect the reactivity of surrounding groups, so that the groups connected to it exhibit different reaction characteristics from the isolated state.
In addition, the benzyl part also affects the properties of the whole molecule. Benzyl has a certain steric hindrance effect, which will affect the proximity and reaction of the reagent to other parts of the molecule. At the same time, benzyl can react under specific conditions, such as debenzyl reaction, to protect or de-protect specific functional groups, which is extremely important in the design of organic synthesis steps.
Overall, benzyl 4-formyltetrahydro-1 (2H) -pyridinecarboxylate presents rich chemical properties due to the interaction of various functional groups, and has potential application value in organic synthesis, pharmaceutical chemistry and other fields.