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What is the chemical structure of (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopenta [c] pyrrole-2 (1H) -carboxylate
This is the naming of an organic compound. To clarify its chemical structure, it is necessary to analyze it according to the naming rules of organic chemistry. " (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopento [c] pyrrole-2 (1H) -carboxylate", " (3aR, 4R, 6aR) " is the configuration identification of the chiral center, indicating a specific atomic space arrangement. "tert-butyl" is a specific alkyl group containing three methyl groups, which is attached to the main structure. "4- (hydroxymethyl) " indicates that the fourth position of the main structure is connected with hydroxymethyl (-CH 2O OH). " Hexahydrocyclopento [c] pyrrole "refers to the main ring structure, which is fused by cyclopentane and pyrrole ring, and the addition saturation of six hydrogen atoms on the hexahydro epicycle." 2 (1H) -carboxylate "The second position of the epicyclic main ring is the carboxylic acid ester structure in the form of 1H, or in the form of -COOR (R is the ester moiety, here tert-butyl).
In this compound structure, hexahydrocyclopento [c] pyrrole is the core, 4-position hydroxymethyl, and 2-position carboxylic acid forms an ester with tert-butyl alcohol. Due to the existence of chiral centers, its structure has specific stereochemical characteristics, which have important effects on
What are the main uses of (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopenta [c] pyrrole-2 (1H) -carboxylate
(3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopento [c] pyrrole-2 (1H) -carboxylic acid ester, which is one of the organic compounds. It has a wide range of uses and is often used as a key intermediate in the field of medical chemistry. Due to its specific molecular structure and chemical properties, it can participate in many organic synthesis reactions, help to construct more complex drug molecular structures, and then lay the foundation for new drug development.
In the field of materials science, it may also have potential applications. For example, after appropriate modification and transformation, it can be used to prepare polymer materials with special properties, such as those with unique mechanical, optical or electrical properties, to meet the needs of different fields for special materials.
Furthermore, in the study of organic synthesis methodologies, it can serve as a model compound to explore and optimize novel synthesis strategies and reaction conditions. Chemists can use this to deeply explore the reaction mechanism, improve reaction efficiency and selectivity, and promote the development of organic synthetic chemistry. In short, this compound is of great significance in many scientific fields, providing researchers with many research directions and application possibilities.
What are the synthesis methods of (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopenta [c] pyrrole-2 (1H) -carboxylate
The synthesis of (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydro-cyclopenta [c] pyrrole-2 (1H) -carboxylic acid esters has always had its own strengths.
First, cyclopentanone derivatives are used as starting materials to construct the target structure through multi-step reaction. First, cyclopentanone and a specific aldehyde are catalyzed by alkaline catalysis, and the enol intermediate is obtained according to the principle of hydroxyaldehyde condensation. In this step, the amount of base needs to be precisely adjusted and heated to prevent overreaction. Then the enol double bond is reduced, and strong reducing agents such as lithium aluminum hydride can be used. In a low temperature and anhydrous environment, careful operation can be used to obtain corresponding alcohols. Subsequently, the alcohol and a suitable amine source form a pyrrole ring by condensation reaction. This process may require the assistance of coupling reagents to improve the reaction efficiency. Then, by introducing a tert-butyl ester group to protect the carboxyl group, all reaction steps need to be carefully controlled. If there is a slight difference in pooling, the yield will be low or the product will be impure.
Second, start from a simple cyclic amine. First, properly protect the amine group to prevent it from participating in the subsequent reaction without reason. Then react with halogenated alkanes to build a side chain. In this step, a suitable solvent and base need to be selected to promote the smooth occurrence of nucleophilic substitution. Next, the side chain is oxidized and a hydroxymethyl group is introduced. According to the characteristics of the substrate, mild or strong oxidation reagents can be selected. Then, the target pyrrole ring is formed through the inner cyclization of the molecule. This is a key step. The reaction conditions need to be reasonably designed to ensure the accuracy of the cyclization check point. Finally, the protective group is removed to obtain the target product. The reaction of each step needs to be optimized one by one to obtain the desired effect.
The process of synthesis requires consideration of reaction efficiency, product purity and cost. Every step requires the heart of craftsman. Be careful, in order to achieve a good environment and prepare this compound.
What are the physical properties of (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopenta [c] pyrrole-2 (1H) -carboxylate
The physical properties of (3aR, 4R, 6aR) -tert-butyl-4- (hydroxymethyl) hexahydrocyclopento [c] pyrrole-2 (1H) -carboxylate are as follows.
Viewed, it is often a colorless to light yellow oily liquid, or a white to off-white solid, which varies depending on the environment and purity.
Smell it, it has a weak special smell, which is not pungent and intolerable, but it can sense its unique smell.
In terms of solubility, it is easily soluble in organic solvents such as chloroform, dichloromethane, and ethyl acetate. The lipophilic tert-butyl and cyclopentopyrrole structures in the caine structure enable them to form suitable interactions with organic solvent molecules. However, in water, the solubility is quite low, and its hydrophilic groups (hydroxymethyl groups) are relatively small, making it difficult to fully interact with water molecules to construct a stable hydrated structure.
In terms of melting boiling point, the melting point varies according to the specific crystal form and purity, and is roughly within a specific temperature range. The boiling point is in the corresponding temperature range due to the influence of intermolecular forces, such as van der Waals forces and hydrogen bonds. Although there is no strong hydrogen bond in the molecule, the donor and the receptor interact to form an extensive hydrogen bond network, but the complexity of its structure enhances the van der Waals force between molecules to a certain extent, which in turn affects the melting boiling point.
The density is slightly higher than that of water, and it is placed in water and sinks at the bottom. This is determined by its molecular mass and structural compactness. The molecular accumulation is relatively tight, and the mass per unit volume is relatively large.
The physical properties of this substance are crucial for its application in organic synthesis, drug development and other fields. Clarifying its dissolution characteristics can help chemists choose suitable reaction solvents and make the reaction proceed smoothly. Knowing the melting boiling point is of great significance in the process of separation and purification. According to its characteristics, high-purity products can be obtained by distillation, recrystallization, etc.
What is the market outlook for (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopenta [c] pyrrole-2 (1H) -carboxylate?
Now there are (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopento [c] pyrrole-2 (1H) -carboxylic acid esters to explore their market prospects. This compound has considerable potential in the field of medicine and organic synthesis.
In the field of medicine, due to its unique structure, it may become a key intermediate for the creation of new drugs. Because the structure determines the properties, its specific spatial configuration and functional groups can interact with specific targets in organisms, providing an opportunity for the development of drugs for specific diseases. However, in order to successfully apply it to drug development, many strict steps need to be taken. The first priority is to study its pharmacological activity in depth to explore its mechanism and effect in cells and animal models. Furthermore, safety assessment is also indispensable, and factors such as toxicity and side effects need to be considered. This process is time-consuming, expensive, and faces many uncertainties.
In the field of organic synthesis, (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopento [c] pyrrole-2 (1H) -carboxylic acid esters can be used as important building blocks for the construction of more complex organic molecules. Its carboxyl groups, hydroxymethyl groups, and other functional groups provide the possibility for diverse chemical reactions, such as esterification, etherification, and amidation. Organic synthesis chemists can find a place in the field of materials science by ingeniously designing reaction routes and using this compound to synthesize organic materials with special functions or structures.
However, its market prospects are also constrained by many factors. First, similar alternative products may already exist in the market, and the competitive pressure cannot be ignored. Second, the complexity and cost of the synthesis process will also have a significant impact on its marketing activities. If the synthesis process is cumbersome and costly, it is difficult to achieve large-scale production and wide application. In summary, (3aR, 4R, 6aR) -tert-butyl 4- (hydroxymethyl) hexahydrocyclopento [c] pyrrole-2 (1H) -carboxylate has potential value, but in order to succeed in the market, it is still necessary to overcome many difficulties, in-depth research and optimization of related technologies and applications.