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What is the chemical structure of (1S, 3aR, 6aS) -octahydro-Cyclopenta [c] pyrrole-1-carboxylic acid ethyl ester HCl?
This is the chemical structure of (1S, 3aR, 6aS) -octahydrocyclopento [c] pyrrole-1-carboxylate ethyl ester hydrochloride. Its structure can be viewed as follows:
The main structure is cyclopento [c] pyrrole, which is formed by fusing a five-membered ring (cyclopentane part) with a nitrogen-containing five-membered heterocycle (pyrrole ring). Octahydro means that the double bonds in this fused ring system have been hydrosaturated, and the number of hydrogen atoms on the ring is the largest. (1S, 3aR, 6aS) is the configuration designation of the chiral center of the compound, indicating the spatial arrangement of the groups attached to specific carbon atoms. < Br >
In the first position of the cyclopento [c] pyrrole structure, there is a carboxylethyl ester group, which is the ester structure formed by the esterification reaction of carboxylic acid and ethanol, -COOCH ³ CH
. The hydrochloride form means that the compound binds to hydrogen chloride, and the nitrogen atom or other basic check point binds to the proton, and at the same time, the presence of chloride ions interacts in the form of ionic bonds.
The chemical structure of this compound comprehensively reflects the characteristics of its carbon ring, heterocyclic ring, ester group and salt. The structure of each part interacts to jointly determine the physical, chemical properties and related reactivity of the compound.
What are the main physical properties of (1S, 3aR, 6aS) -octahydro-Cyclopenta [c] pyrrole-1-carboxylic acid ethyl ester HCl?
(1S, 3aR, 6aS) -octahydrocyclopento [c] pyrrole-1-carboxylate ethyl hydrochloride, this is an organic compound. Its physical properties are quite critical and related to its application in many fields.
Looking at its properties, under normal temperature and pressure, it is mostly white to quasi-white crystalline powder, which is conducive to storage and subsequent processing. This compound has a certain melting point, about 130-135 ° C. The stability of the melting point can be used as an important basis for purity judgment. If the purity is high, the melting point range is narrow and stable; if there are many impurities, the melting point may decrease, and the range will also become wider.
Solubility is also a key property. In common organic solvents, such as methanol and ethanol, it has good solubility, which is of great significance in chemical synthesis and drug development. Because in the preparation of the reaction system or preparation, a suitable solvent is required to dissolve the compound, so as to facilitate the reaction or the uniform dispersion of the preparation. In water, the solubility is slightly inferior, because although the molecular structure contains groups that can form hydrogen bonds with water, the overall hydrophobicity is strong.
Furthermore, this compound is hygroscopic. Placed in a high humidity environment, it is easy to absorb moisture in the air, causing its quality to increase, change its properties, or affect its stability and quality. When storing, pay attention to moisture-proof, choose a dry environment and seal it. In addition, its hydrochloride form determines that it has certain acidic dissociation characteristics in the solution, which can release hydrogen ions, causing the solution to be acidic. This property may affect the reaction direction and biological activity in the interaction between related chemical reactions and the environment in vivo.
(1S, 3aR, 6aS) -octahydro-Cyclopenta [c] pyrrole-1-carboxylic acid ethyl ester HCl in which applications?
(1S, 3aR, 6aS) -octacyclopento [c] pyrrole-1-carboxylate ethyl hydrochloride, which is widely used. In the field of medicine, it is a key intermediate in organic synthesis, and the creation of many drugs depends on its participation in the reaction. Through specific chemical reactions, its structure can be modified and modified, and then compounds with specific pharmacological activities can be synthesized, such as the development of therapeutic drugs for neurological diseases. By precisely adjusting its chemical structure, synthetic drugs can better act on neurological targets and achieve the purpose of disease treatment.
In the field of organic synthesis research, it is also an extremely important raw material. With their unique molecular structure and chemical properties, researchers can design and carry out various novel organic synthesis reactions, opening up paths for the preparation of new organic compounds, helping to expand the research boundaries of organic chemistry, and promoting the progress and development of organic synthesis methodologies.
In the field of materials science, it has also emerged. By compounding or modifying with other materials, materials can be endowed with unique properties. For example, the introduction of this substance in some polymer materials can optimize the solubility, stability or mechanical properties of materials, so as to meet the diverse needs of material properties in different fields.
This compound plays an indispensable role in the fields of medicine, organic synthesis and materials science, and has far-reaching significance for the development of various fields.
What are the synthesis methods of (1S, 3aR, 6aS) -octahydro-Cyclopenta [c] pyrrole-1-carboxylic acid ethyl ester HCl?
The synthesis method of (1S, 3aR, 6aS) -octahydrocyclopento [c] pyrrole-1-carboxylate ethyl ester hydrochloride has many methods, each has its own advantages, and varies according to the required raw materials, reaction conditions and desired product purity.
First, a specific cyclopentene derivative is used as the starting material. First, it is nucleophilic addition reaction with a suitable nucleophilic reagent to form a key carbon-carbon bond. In this step, a suitable reaction solvent, such as anhydrous tetrahydrofuran, is selected to facilitate the smooth progress of the reaction. Then, in the presence of a suitable catalyst, the resulting intermediate undergoes an intramolecular cyclization reaction to form the core ring structure of the target compound. The reaction temperature and time are very important, and the ideal yield can be obtained by precise regulation. Subsequently, the cyclization product is esterified and ethyl ester groups are introduced. The conversion is completed under the condition of heating and reflux with ethanol and acid catalysts, such as p-toluenesulfonic acid. Finally, the hydrochloride form of the target product is obtained by treating with hydrogen chloride gas or a suitable hydrochloric acid solution.
Second, it can be started from a nitrogen-containing five-membered heterocycle. By introducing suitable substituents at specific positions in the heterocycle, such as the nucleophilic substitution reaction between halogenated hydrocarbons and basic conditions. After that, the target molecular structure is gradually built through multi-step functional group conversion and ring system modification. During this period, careful selection of protecting groups and deprotecting strategies is required to prevent unnecessary side reactions. For example, sensitive amino or carboxyl groups are protected by tert-butoxycarbonyl (BOC) or benzyloxycarbonyl (Cbz), which are removed at an appropriate stage to ensure the selectivity of the reaction.
Third, biosynthesis is also an optional approach. Using the catalytic activity of specific microorganisms or enzymes, natural products with similar structures are used as substrates and converted by enzymatic reactions in vivo. This method is green and environmentally friendly, but high activity and high selectivity biocatalysts need to be screened, and the reaction conditions are mild. It requires strict requirements on the pH, temperature and substrate concentration of the reaction system. Fine regulation is required to achieve effective synthesis.
What is the market outlook for -octahydro-Cyclopenta [c] pyrrole-1-carboxylic acid ethyl ester HCl?
Now there is (1S, 3aR, 6aS) -octahydrocyclopento [c] pyrrole-1-carboxylate ethyl hydrochloride, which is a key intermediate for the creation of new drugs in the market prospect.
This compound may have good prospects in the field of pharmaceutical and chemical industry. In pharmaceutical research and development, it may be a key intermediate for the creation of new drugs. The unique structure of (1S, 3aR, 6aS) -octacyclopento [c] pyrrole-1-carboxylate ethyl ester hydrochloride may endow drugs with specific biological activities and pharmacological properties, which is expected to make breakthroughs in the development of therapeutic drugs for many difficult diseases, such as neurological diseases and cardiovascular diseases.
In the chemical industry, it can be used as a raw material for special organic synthesis. With the vigorous development of materials science, the demand for special structural organic compounds is increasing. This compound may be used as a starting material to synthesize polymer materials and functional materials with special properties, such as in the fields of optical materials and electronic materials, which will contribute to the research and development of new chemical materials.
However, its marketing activities also face challenges. The synthesis process may be complex and costly. If you want to enter the market on a large scale, it is urgent to optimize the synthesis route and reduce production costs. And the market competition is fierce, and similar or alternative products are also competing. Only by continuously improving product quality and highlighting unique advantages can you win a place in the market.
Overall, (1S, 3aR, 6aS) -octahydrocyclopento [c] pyrrole-1-carboxylate ethyl hydrochloride holds potential opportunities in the pharmaceutical and chemical fields, but it also needs to deal with many challenges. With reasonable strategies and unremitting research and development, it may be possible to open up broad market prospects.