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What is the chemical structure of -Octahydrocyclopenta [c] pyrrole-1-carboxylic acid tert -butyl ester oxalate?
This is the name of the organic compound, (1S, 3aR, 6aS) -octahydro-cyclopento [c] pyrrole-1-tert-butyl carboxylate oxalate. The analysis of its chemical structure needs to be deduced according to the rules of organic chemistry and the information involved in naming.
Looking at its name, " (1S, 3aR, 6aS) " is the configuration of the chiral center, indicating the specific atomic spatial arrangement of the molecule. " Octahydro-cyclopentano [c] pyrrole "indicates the basic carbon ring structure, that is, the cyclopentane-containing pyrrole ring is fused, and the number of hydrogen atoms on the ring is determined to be saturated due to" octahydro "." -1-tert-butyl carboxylate "represents a tert-butyl carboxylate group attached to the 1 position of the cyclopentopyrrole ring. This group is formed by esterification of a carboxylic group and a tert-butyl group. The tert-butyl group has a structure of -C (CH), and the carboxylic acid ester has specific chemical properties and reactivity." Oxalate "indicates that the compound exists in the form of an oxalate, which means that the cationic part of the molecule is this ester, and the anionic part is
Overall, the chemical structure of (1S, 3aR, 6aS) -octahydro-cyclopento [c] pyrrole-1 -tert-butyl carboxylate oxalate is composed of cyclopentopyrrole-1-carboxylate cation and oxalate anion with a specific chiral configuration. The interaction of various parts endows this compound with unique physical and chemical properties.
What are the physical properties of -Octahydrocyclopenta [c] pyrrole-1-carboxylic acid tert -butyl ester oxalate?
(1S, 3aR, 6aS) -octacyclopento [c] pyrrole-1-tert-butyl carboxylate oxalate, this is an organic compound. Its physical properties are quite unique.
Looking at its morphology, it is mostly white to white-like crystalline powder under normal conditions, which is conducive to preservation and subsequent processing.
When it comes to melting point, it is about a specific temperature range, but the exact value will vary slightly depending on the amount of impurities and the measurement method. This melting point characteristic is of great significance in the identification and purity determination of compounds.
In terms of solubility, it shows a certain solubility in organic solvents such as dichloromethane and methanol, but its solubility in water is relatively limited. This property is crucial in the separation, purification and choice of reaction medium of the compound.
In addition, the compound has certain stability, but under high temperature, high humidity or strong acid and alkali environment, the stability may be affected. Pay attention to environmental factors when storing, and should be placed in a cool, dry and well-ventilated place to avoid contact with incompatible substances.
Such physical properties have far-reaching impact on its application in organic synthesis, drug development and other fields, providing an important basis for practitioners in related fields.
What are the main uses of -Octahydrocyclopenta [c] pyrrole-1-carboxylic acid tert -butyl ester oxalate?
(1S, 3aR, 6aS) -octacyclopento [c] pyrrole-1-carboxylate tert-butyl ester oxalate, a fine organic compound with key uses in organic synthesis and medicinal chemistry.
Its main use is in drug development. In the creation of new drugs, the compound is often used as a key intermediate. Due to its specific molecular structure, it can be chemically modified and modified to derive a variety of compounds with biological activities. These derivatives may exhibit high affinity and selectivity for therapeutic targets in specific diseases, and thus are expected to be developed into innovative drugs with excellent efficacy.
Furthermore, in the field of organic synthesis, this compound can be used as a key building block for the construction of complex organic molecules due to its unique spatial structure and reactivity. Chemists can ingeniously design reaction paths and integrate them into larger and more complex molecular systems, thus expanding the scope and means of organic synthesis and laying the foundation for the synthesis of novel and special properties of organic materials.
In addition, in terms of biological activity research, a series of compounds prepared from (1S, 3aR, 6aS) -octacyclopento [c] pyrrole-1-carboxylate tert-butyl ester oxalate as starting materials can be used to explore specific physiological and biochemical processes in organisms, help to understand the pathogenesis of diseases, and provide key theoretical basis and experimental support for the development of precision drugs. In short, this compound plays an indispensable role in many scientific research and related industrial development processes.
What are the synthesis methods -Octahydrocyclopenta [c] pyrrole-1-carboxylic acid tert -butyl ester oxalate?
The synthesis method of (1S, 3aR, 6aS) -octahydrocyclopento [c] pyrrole-1 -tert-butyl carboxylate oxalate, although the ancient book "Tiangong Kaiwu" does not contain the synthesis method of this specific compound, but it contains many chemical, metallurgical, pottery and other process principles, which can give enlightenment to today's organic synthesis.
The key to organic synthesis lies in the selection of raw materials. Analogous to the selection of materials in "Tiangong Kaiwu", for this compound, suitable starting materials can be found, such as cyclopentene derivatives with suitable functional groups, as the basis for the reaction.
The reaction step is crucial. According to the principle of gradual progress in ancient books, the cyclopentyl pyrrole skeleton can be constructed first. Or use a cyclization reaction, such as the condensation and cyclization of enamines with aldides and ketones, etc., to shape the basic structure. This step requires controlling the reaction conditions, such as temperature, solvent, catalyst, and the temperature and ingredients.
After cyclization, a carboxyl group is introduced and esterified. A specific carbon site is oxidized to a carboxyl group with an appropriate oxidant, and then esters are formed with tert-butyl alcohol under acid catalysis. This process pays attention to the selectivity and yield of the reaction.
The formation of the octahydro structure can be achieved by hydrogenation reaction, and the appropriate hydrogenation catalyst, such as palladium carbon, can be selected to control the hydrogen pressure and temperature, and precise hydrogenation can be used to obtain the desired three-dimensional configuration. < Br >
Finally, oxalate is formed, which is reacted in proportion with free alkali and oxalic acid in a suitable solvent, and crystallized and purified. The whole synthesis is rigorous and meticulous, and each step is carefully operated and monitored to obtain the target product.
(1S, 3aR, 6aS) -Octahydrocyclopenta [c] pyrrole-1-carboxylic acid tert -butyl ester oxalate What are the precautions in storage and transportation?
(1S, 3aR, 6aS) -octacyclopento [c] pyrrole-1-tert-butyl carboxylate oxalate, when stored and transported, there are several things to pay attention to.
When storing, the first degree of temperature and humidity. This material may be sensitive to changes in temperature and humidity, and should be placed in a cool and dry place to avoid hot topics and humidity. High temperature or cause its chemical structure to change, reducing its purity and activity; moisture or cause it to deliquescence or mildew, which will damage its quality.
The second time is light proof. Light may also promote its chemical reaction, so it is better to hide in a dark place, or store it in an opaque device, away from direct sunlight and strong light.
Furthermore, isolation is essential. It must be separated from oxidizing agents, acids, bases, etc., because it may chemically react with it, resulting in dangerous results.
As for transportation, the packaging must be solid. Choose the right packaging material to ensure that it is not damaged during bumps and collisions, and to prevent leakage.
During transportation, keep the temperature and humidity under control, according to its characteristics, or use a temperature-controlled vehicle to keep it in a suitable environment.
When handling, be careful. Handle with care, avoid rough moves, and avoid leakage caused by packaging damage. Only by paying attention to all things in this way can we ensure that (1S, 3aR, 6aS) -octa-cyclopento [c] pyrrole-1 -tert-butyl carboxylate oxalate is safe in storage and transportation.