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What is the chemical structure of 1H-Pyrazolo [3,4-b] pyridine-3-carboximidamide, 1- [ (2-fluorophenyl) methyl] -, monohydrochloride?
This is the chemical structure of 1- [ (2-fluorophenyl) methyl] -1H-pyrazolo [3,4-b] pyridine-3-formamidine monohydrochloride. The structure analysis is as follows:
The main structure is 1H-pyrazolo [3,4-b] pyridine, which is formed by fusing the pyrazole ring with the pyridine ring. On the pyrazole ring, the nitrogen atom at 1 position is connected to the (2-fluorophenyl) methyl group, that is, the fluorine atom at 2 positions on the benzene ring is substituted, and it is connected to the nitrogen at 1 position of the pyrazole ring through methylene. The 3-linked formamidine group of the pyridine ring, the -C (= NH) NH -2 group, presents a special functional group structure containing nitrogen. Monohydrochloride indicates that the compound forms a salt with a molecule of hydrogen chloride. In the overall structure, the chlorine atom is ionic bonded to the basic check point in the compound. In this way, the unique chemical structure of 1 - [ (2-fluorophenyl) methyl] -1H-pyrazolo [3,4-b] pyridine-3-formamidine monohydrochloride is formed.
What are the physical properties of 1H-Pyrazolo [3,4-b] pyridine-3-carboximidamide, 1- [ (2-fluorophenyl) methyl] -, monohydrochloride?
1 - [ (2-fluorophenyl) methyl] -1H-pyrazolo [3,4-b] pyridine-3-formamidine monohydrochloride, the properties of this substance are very different. Its shape is usually in the shape of powder or crystal, and its color is mostly close to pure white or slightly white-like state, and it is delicate.
On its melting point, after many tests, it is about 220-230 ° C. When it reaches this temperature, the state of the substance solidifies and gradually melts, showing a liquid flow. Its solubility in water is slightly soluble, which can make the water liquid slightly contain its properties, but it is not very soluble. In common organic solvents, such as ethanol, dichloromethane, etc., the solubility is slightly better, and it can be gradually mixed with solvents.
As for stability, under room temperature and pressure, it is said to be stable and can be temporarily stored in ordinary environments. In case of hot topics, open flames, or strong oxidizing agents, it is easy to change and should be handled with caution. Its chemical activity, due to the structure containing specific groups, such as pyrazolopyridine structure and amidine group, can be used as a key raw material in the field of organic synthesis, reacting with other substances to produce a variety of compounds, which is important for organic chemistry research and chemical preparation.
What is the main use of 1H-Pyrazolo [3,4-b] pyridine-3-carboximidamide, 1- [ (2-fluorophenyl) methyl] -, monohydrochloride?
1H-pyrazolo [3,4-b] pyridine-3-formamidine, 1- [ (2-fluorophenyl) methyl] -, monohydrochloride, this substance is widely used. In the field of pharmaceutical research and development, it is often used as a key intermediate to help create new drugs. Due to its unique chemical structure, it can interact with specific biological targets, or can regulate human physiological processes and treat related diseases.
In the field of chemical research, it is an important building block for organic synthesis. Chemists have derived many compounds with different structures by modifying and modifying its structure to explore new chemical reactions and synthesis paths and expand the boundaries of organic chemistry knowledge. < Br >
Due to its special chemical properties, it also has potential applications in materials science. Or it can participate in the preparation of materials with special properties, such as materials with unique optical and electrical properties, to contribute to the development of materials science. In short, this compound has important value in many scientific fields and is of great significance for promoting technological innovation and progress in various fields.
What are the synthesis methods of 1H-Pyrazolo [3,4-b] pyridine-3-carboximidamide, 1- [ (2-fluorophenyl) methyl] -, monohydrochloride?
The synthesis of 1- [ (2-fluorophenyl) methyl] -1H-pyrazolo [3,4-b] pyridine-3-formamidine monohydrochloride is a highly anticipated topic in the field of chemical synthesis. The synthesis of this compound often follows a variety of paths.
First, a pyridine derivative containing a specific substituent is used as the starting material. The pyridine ring is first modified, and a halogenation reaction is used to introduce a halogen atom, such as bromine or chlorine, at a specific position in the pyridine ring. This halogen atom acts as a key to the subsequent reaction, and can undergo nucleophilic substitution reactions with reagents containing pyrazole structures. In the presence of a suitable base and catalyst, the reaction is gently heated in an organic solvent, and the pyrazole group is ingeniously connected to the pyridine ring to construct a pyrazolo [3,4-b] pyridine skeleton. Subsequently, for the pyridine-3-position, appropriate formylation reagents are used, formyl groups are introduced through formylation reaction, and then ammonization and dehydration steps are successfully converted into formamidine groups. The methyl moiety of the 1-position (2-fluorophenyl) can be reacted with intermediates by halogenated (2-fluorophenyl) methane to reach a connection in an alkaline environment. Finally, it interacts with hydrogen chloride gas or hydrochloric acid solution to form a monohydrochloride of the target product.
Second, the pyrazole derivative is used as the starting material. Pyridination of the pyrazole ring is carried out, and the pyrazolo [3,4-b] pyridine structure is constructed by reacting with suitable pyridination reagents under specific conditions. The subsequent steps are similar to the former, that is, the introduction of formamidine group and (2-fluorophenyl) methyl group, and the final salt is formed.
During the synthesis process, careful control of the reaction conditions at each step, such as reaction temperature, time, reagent dosage and pH, etc., have a profound impact on the reaction yield and product purity. After each step of the reaction, it is often necessary to separate and purify the product by means of heavy column chromatography, recrystallization, etc., to ensure the required purity and lay a solid foundation for subsequent research and application.
How safe is 1H-Pyrazolo [3,4-b] pyridine-3-carboximidamide, 1- [ (2-fluorophenyl) methyl] -, monohydrochloride?
1H-pyrazolo [3,4-b] pyridine-3-formamidine, 1- [ (2-fluorophenyl) methyl] -, monohydrochloride, the safety of this substance is related to many aspects.
In terms of chemical properties, its structure is unique, containing pyrazolo-pyridine and specific substituents and hydrochloride salt forms. Hydrochloride substances may have certain chemical activity under certain conditions. In case of high temperature, open flame, or contact with strong oxidants, it may cause chemical reactions, cause fire and explosion.
In terms of toxicity, although there is no detailed information yet, some organic compounds containing fluorine, nitrogen and other elements are toxic. Or through inhalation, ingestion, skin contact and other routes into the human body, damage to the respiratory system, digestive system, nervous system, etc. Such as inhalation of its dust or vapor, or cause respiratory irritation, cough, asthma, etc.; long-term exposure, or potential chronic toxicity, affecting organ function.
In terms of environmental impact, after entering the environment, it is difficult to be naturally degraded due to its complex chemical structure. Or accumulate in soil and water, affecting ecological balance, endangering the survival of aquatic organisms, soil microorganisms, etc.
When handling this substance, strict safety procedures must be followed. Operators should wear professional protective equipment, such as protective clothing, gloves, goggles, gas masks, etc., to prevent contact and inhalation. The operation site should be well ventilated, and corresponding emergency treatment equipment and measures should be provided. When storing, it should be placed in a cool, dry and ventilated place, away from fire, heat and oxidants.
In summary, the safety of 1H-pyrazolo [3,4-b] pyridine-3-formamidine, 1- [ (2-fluorophenyl) methyl] -, monohydrochloride needs to be considered in many aspects and treated with caution to ensure the safety of personnel and the environment is not endangered.