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What is the chemical structure of (S) -1 '- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopenta [b] pyridine-6,3' -pyrrolo [2,3-b] pyridin] -2 ' (1'H) -one
This is the chemical structure analysis of (2S) -1 '- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopento [b] pyridine-6,3' -pyrrolio [2,3-b] pyridine] -2 ' (1'H) -one. This compound contains a spiro ring structure, which is connected by cyclopento [b] pyridine and pyrrolio [2,3-b] pyridine as a spiro atom. On one side of the spiro atom, the 1' position is connected with tert-butyl; on the other side, the 3-position contains a chlorine atom. And in the 5,7-dihydro state, the 2 'position is carbonyl, showing the structural characteristics of ketones. This unique structure fuses pyridine, pyrrole ring system, tert-butyl and chlorine atom, endows it with specific physical and chemical properties, and may have potential applications in the fields of organic synthesis and medicinal chemistry, or can be used as a lead compound to modify the structure to develop drugs with specific biological activities.
What are the main physical properties of (S) -1 '- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopenta [b] pyridine-6,3' -pyrrolo [2,3-b] pyridin] -2 ' (1'H) -one
(S) - 1 '- (tert-butyl) - 3-chloro-5,7-dihydrospiro [cyclopento [b] pyridine-6,3' -pyrrolido [2,3-b] pyridine] -2 ' (1'H) -one, which is an organic compound. Its main physical and chemical properties are as follows:
Its properties, or white to light yellow solid powder, are easy to store and operate. Its melting point is also a key property, but the specific value varies according to the synthesis and purification conditions, and the phase transition usually occurs within a specific temperature range.
In terms of solubility, the compound has a certain solubility in organic solvents such as dichloromethane, N, N-dimethylformamide (DMF). This property is of great significance in organic synthesis and reaction, because it can determine the choice of reaction solvent and ensure the smooth progress of the reaction. In water, its solubility is very small. Due to the large proportion of hydrophobic groups in the molecular structure, the interaction with water molecules is weak.
In terms of stability, the compound is relatively stable under conventional environmental conditions without the influence of special reagents or severe conditions. When encountering strong oxidants, strong acids or strong bases, some chemical bonds in its structure may be broken or rearranged, causing its chemical properties to change. < Br >
Spectral properties are also important characterizations. In infrared spectroscopy, each characteristic functional group produces an absorption peak at a specific wavenumber, such as the stretching vibration peak of carbonyl (C = O), which can help confirm the molecular structure. In nuclear magnetic resonance spectroscopy (NMR), hydrogen and carbon atoms in different chemical environments give specific chemical shift signals, providing key information for analyzing molecular structures. The spectral characteristics of this compound can be used for purity detection and structural confirmation.
(S) -1 '- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopenta [b] pyridine-6,3' -pyrrolo [2,3-b] pyridin] -2 ' (1'H) -one is commonly used in which chemical reactions
(S) - 1 '- (tert-butyl) - 3-chloro-5,7-dihydrospiro [cyclopento [b] pyridine-6,3' -pyrrolido [2,3-b] pyridine] -2 '- (1'H) -one This compound is often used in many reactions in organic synthesis.
This compound has many applications in the construction of complex nitrogen-containing heterocyclic systems. Due to its unique helical structure, it can introduce special spatial configuration and electronic effects to the reaction products. For example, in the coupling reaction catalyzed by palladium, it can be used as a key substrate to react with halogenated aromatics or alkenyl halides to form carbon-carbon bonds, thereby expanding the skeleton structure of the molecule and realizing the effective connection between spiro rings and aromatic rings or alkenyl groups to prepare nitrogen-containing heterocyclic compounds with novel structures, which may have potential value in the field of medicinal chemistry.
In nucleophilic substitution reactions, this compound has also received considerable attention. Its 3-chlorine atom has a certain reactivity and can be attacked by various nucleophilic reagents to achieve the substitution of chlorine atoms, introducing different functional groups such as amino groups and alkoxy groups, thereby enriching the chemical diversity of the compound and laying the foundation for subsequent biological activity research or material performance optimization.
In the reduction reaction, the carbonyl group of this compound can be reduced by a suitable reducing agent and converted into the corresponding alcohol hydroxyl group, which can not only change the polarity of the molecule, but also affect its biological activity and physical properties, which is of great significance for the expansion of organic synthesis routes and the regulation of compound properties.
And because of the existence of chiral centers, it can also play a role in asymmetric synthesis reactions, which can induce the reaction to selectively generate products of specific configurations, providing an effective way to obtain optically pure nitrogen-containing heterocyclic compounds, and showing application potential in the field of chiral drug research and development.
What are the synthesis methods of (S) -1 '- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopenta [b] pyridine-6,3' -pyrrolo [2,3-b] pyridin] -2 ' (1'H) -one
The synthesis method of ((S) - 1 '- (tert-butyl) - 3-chloro-5,7-dihydrospiro [cyclopentane [b] pyridine-6,3' -pyrrolio [2,3-b] pyridine] -2 '- (1'H) -one) is a key research direction in the field of organic synthesis. The synthesis method can be roughly carried out in the following ways.
First, a step-by-step construction strategy can be adopted. First, the parent nucleus of a certain part of the spiral ring structure is built with suitable starting materials and carefully designed reactions. For example, a compound containing pyridine or pyrrole structure is selected as the starting material, and chlorine atoms are introduced at a specific position through halogenation reaction to meet the structural requirements of the target product. For this halogenation reaction, suitable halogenation reagents, such as N-chlorosuccinimide (NCS), can be selected according to the activity of the substrate and the reaction conditions, and precise halogenation can be achieved under mild conditions.
Second, when the structure of another part of the spiral ring is constructed, it can be achieved by cyclization reaction. Using intermediates with appropriate functional groups as raw materials, by adjusting the reaction conditions, such as temperature, catalyst, etc., promote the formation of intramolecular rings. In this process, the choice of catalyst is crucial, or a Lewis acid catalyst can be used to catalyze intramolecular cyclization to construct the target spiral ring structure. In this process, the reaction conditions need to be carefully controlled to ensure the selectivity and yield of cyclization.
Furthermore, after the basic structure of the spiral ring is constructed, tert-butyl needs to be introduced. The method of nucleophilic substitution can be used to react with intermediates containing tert-butyl. In this reaction, the choice of solvent is very critical, and the appropriate solvent can improve the reaction rate and product purity. For example, the use of polar aprotic solvents, such as N, N-dimethylformamide (DMF), is helpful for the smooth progress of the reaction.
Furthermore, in the synthesis process, the separation and purification of the reaction products at each step is also key. Column chromatography, recrystallization and other methods can be used to obtain high-purity intermediates and target products, laying a solid foundation for subsequent reactions. In this way, the reaction is expected to achieve effective synthesis of (S) -1- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopentane [b] pyridine-6,3 '-pyrrolido [2,3-b] pyridine] -2' - (1'H) -one) after careful design and operation in multiple steps.
(S) -1 '- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopenta [b] pyridine-6,3' -pyrrolo [2,3-b] pyridin] -2 ' (1'H) -one What is the application in the field of medicine
(S) -1 '- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopento [b] pyridine-6,3' -pyrrolio [2,3-b] pyridine] -2 ' (1'H) -one is widely used in the field of medicine.
This compound is often used as a key intermediate in drug development. Due to its unique chemical structure, it can interact specifically with many biological targets in vivo. Taking the development of anti-tumor drugs as an example, its structure can be modified to enhance the ability to bind to specific proteins of tumor cells, so as to inhibit the proliferation of tumor cells and induce their apoptosis. It is like refining arrows to make them more accurate at the bullseye and play a key role in the anti-cancer battlefield.
It also has important value in the exploration of drugs for neurological diseases. It may regulate neurotransmitter transmission and repair nerve cell function, and is expected to become a potential candidate drug for the treatment of neurodegenerative diseases such as Parkinson's disease and Alzheimer's disease. Just like a craftsman who repairs damaged neural pathways, helping the nervous system return to normal operation.
In the field of anti-infective drugs, with their structural characteristics, they may interfere with key metabolic processes of pathogens or destroy their cell membranes, demonstrating antibacterial and antiviral activities, becoming a powerful weapon against infectious diseases and building a strong defense line for patients' health.
In conclusion, (S) -1 '- (tert-butyl) -3-chloro-5,7-dihydrospiro [cyclopento [b] pyridine-6,3' -pyrrolio [2,3-b] pyridine] -2 ' (1'H) -ketones are like a shining pearl in the field of medicine, containing great potential for development and providing new opportunities and hope for solving various disease problems.
