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What is the chemical structure of tert-Butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylate?
Alas! To understand the chemical structure of "tert - Butyl 4- (aminomethyl) tetrahydropyridine - 1 (2H) -carboxylate", it is necessary to analyze it according to its naming rules.
In this name, "tert - Butyl", tert-butyl is also a group containing three methyl groups and one carbon atom. It has a three-dimensional structure. Its shape is like an umbrella cover, which is stable and unique.
"4- (aminomethyl) ", shown at a specific position (No. 4 position) with aminomethyl, aminomethyl, a nitrogen atom is connected to a methyl group, and nitrogen has a lone pair electron, which is quite active.
"tetrahydropyridine" is tetrahydropyridine. The pyridine ring is obtained by hydrogenation. It has a six-membered ring structure. There is a nitrogen atom in the ring, and its conjugation system has changed. Its chemical properties are also different from those of pyridine.
"1 (2H) -carboxylate" indicates that the No. 1 position (and in the 2H state, suggesting a specific isomeric form) is connected to a carboxylic acid ester group. The carboxylic acid ester group is formed by linking a carbonyl group to an alkoxy group. The carbonyl group has a certain polarity, which affects the physical and chemical properties of the compound.
In summary, the structure of this compound is based on the tetrahydropyridine ring as the core, with aminomethyl at the No. 4 position and tert-butyl carboxylate at Due to its unique structure and the interaction of various groups, this compound is endowed with specific chemical activities and physical properties, and may have important uses in organic synthesis, medicinal chemistry, and other fields.
What are the main uses of tert-Butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylate?
Tert-butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylic acid ester has a wide range of uses and is a key raw material in the field of organic synthesis. It is particularly important in the field of medicinal chemistry. It covers the creation of many drugs and relies on its participation in reactions to build molecular structures and give drugs specific activities and effects.
If you want to prepare biologically active nitrogen-containing heterocyclic compounds, tert-butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylic acid esters are often used as starting materials. After carefully designed reaction steps, various functional groups can be introduced to form medicinal molecules with complex structures and specific functions. < Br >
In the field of materials science, it also has unique uses. Or it can be embedded into the structure of polymer materials through chemical reactions, so as to improve the properties of materials, such as improving the stability, hydrophilicity, etc., so that the materials are more suitable for specific applications.
Furthermore, in the study of chemical biology, this compound can be used as a probe molecule. Through its interaction with biomacromolecules, the biochemical process in the body can be observed, helping researchers understand the essence of life phenomena, and opening up new avenues for the exploration of related fields. In conclusion, tert-butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylate has significant value and application prospects in many fields due to its unique structure and reactivity.
What are the synthesis methods of tert-Butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylate?
There are various ways to prepare tert-butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -formate. One method can also be started from tetrahydropyridine derivatives. First take tetrahydropyridine with appropriate substituents, and protect the pyridine nitrogen atom with suitable protecting groups, which can make the reaction check point selective. For example, reagents such as tert-butoxycarbonyl (Boc) react with tetrahydropyridine to generate tetrahydropyridine derivatives with nitrogen atoms protected by Boc.
Then, under suitable reaction conditions, introduce aminomethyl at the fourth position of the pyridine ring. This step can be achieved by a nucleophilic substitution reaction, in which a nucleophilic reagent containing aminomethyl groups interacts with an activated 4-position halogenated tetrahydropyridine derivative. Halogens can be prepared by reacting with halogenating reagents, such as phosphorus halide or halogenated sulfoxide, with corresponding hydroxy compounds. The nucleophilic reagent reacts with the halogen in a suitable solvent, such as a polar aprotic solvent (such as dimethylformamide), in the presence of a base. Potassium carbonate can be used as a base to promote nucleophilic substitution and the introduction of aminomethyl groups.
After the reaction is completed, the deprotection step is performed. In this step, the tert-butoxycarbonyl protecting group can be removed under suitable conditions, such as treatment with acidic reagents, such as dilute hydrochloric acid or trifluoroacetic acid, to obtain the target product tert-butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -formate.
Another method can start with the construction of a pyridine ring. Using an open-chain compound containing a suitable substituent as a raw material, a pyridine ring is formed by cyclization. For example, a compound containing enamines and carbonyl groups is formed by intramolecular cyclization under suitable catalytic conditions. During the reaction, a tert-butoxycarbonyl protecting group can be introduced simultaneously or subsequently to protect the pyridine nitrogen atom. After that, according to the above-mentioned similar method, the aminomethyl group is introduced at the 4 position, and the protection and deprotection steps are adjusted according to the situation, and finally the target product can be obtained. The various synthesis methods need to be selected according to factors such as the availability of raw materials, the difficulty of reaction conditions and the yield.
What are the physicochemical properties of tert-Butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylate?
Tert-butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylate, the physical and chemical properties of this substance are quite important, which is related to its application.
Looking at its physical properties, it may be a solid under normal conditions, because this kind of structure has a certain crystallinity. Its melting point and boiling point also have specific values, but the exact value needs to be determined by experiments. Due to the structure of tert-butyl and pyridine rings in the molecule, the intermolecular forces are different, which affects the melting boiling point. In terms of solubility, according to the principle of similar miscibility, it may have good solubility in organic solvents such as dichloromethane and chloroform. Because its structure contains hydrophobic groups, its solubility in water may be limited. Although nitrogen-containing atoms can form hydrogen bonds with water, the overall hydrophobic groups dominate.
On the basis of its chemical properties, the aminomethyl part is nucleophilic and can participate in nucleophilic substitution reactions. Lone pair electrons on nitrogen atoms can attack electrophilic reagents, such as reacting with halogenated hydrocarbons to form substitution products. Pyridine rings are also chemically active and can undergo electrophilic substitution reactions. Due to the uneven distribution of electron cloud density in pyridine rings, specific positions can be attacked by electrophilic reagents. In addition, ester groups can be hydrolyzed according to different mechanisms under acidic or alkaline conditions. Under acidic conditions, it is a reversible reaction, and under alkaline conditions, the reaction tends to be complete, resulting in corresponding carboxylic acids and alcohols. Although tert-butyl is relatively stable, under certain strong acidic or high temperature conditions, reactions such as carbon-carbon bond breaking may occur. All these properties are of great significance for its application in organic synthesis, drug development and other fields.
What is the price range of Tert-Butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylate in the market?
Nowadays, there is tert-butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylic acid ester. To know the price range between the markets. However, the price of the market often varies due to various factors such as time, place, quality and quantity, and it is difficult to know with certainty.
Looking at past market conditions, the price fluctuations of these compounds are due to the balance between supply and demand, the difficulty of preparation, and the quality. If the demand for this substance is high and the preparation is difficult, its price may be high; conversely, if the supply exceeds the demand, the price will decline.
In the past transaction records, the price difference is quite large due to the difference in quality. Refined high-quality products, the price is often high; while ordinary grades, the price is slightly lower. And the size of the batch is also related to the price. Block trade, each price is preferential due to large quantities; small purchases, the price is often higher.
And the origin is far away, and the transportation cost is also related to the price. For those near the origin, the price may be slightly lower due to the provincial transportation fee; for those far away, the price may rise due to the increase in freight.
In summary, the market price of tert-butyl 4- (aminomethyl) tetrahydropyridine-1 (2H) -carboxylate, or between a few and tens of yuan per gram, is only a rough estimate. The actual price needs to be consulted with the supplier in detail, depending on the current situation, quality and required quantity.