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What is the chemical structure of 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamide HCL?
1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidine hydrochloride, this is an organic compound. Looking at its name, its structural elements can be analyzed.
First, "1H-pyrazolo [3,4-b] pyridine", this is the core heterocyclic structure. The ring system of pyrazolo-pyridine is formed by fusing the pyrazolo ring with the pyridine ring. The pyrazolo ring has two adjacent nitrogen atoms, and the pyridine ring contains one nitrogen atom. The two build the core structure in a specific fused manner and determine the shape of its basic skeleton.
"1- (2-fluorobenzyl) ", indicating that there is a 2-fluorobenzyl group connected at the 1st position. Benzyl is benzyl, 2-fluorobenzyl is the benzyl group with fluorine atom substitution at the ortho (2nd position) of the benzene ring, and is connected to the 1st position of the pyrazolopyridine ring through carbon-nitrogen bonding, which increases the complexity and uniqueness of its structure.
"3-formamidine", which is connected to the formamidine group at the 3rd position of the pyrazolopyridine ring. Formamidine has the structure of -C (= NH) NH ², which endows the compound with specific reactivity and properties. < Br >
Finally, "hydrochloride" refers to the combination of hydrogen ions with hydrochloric acid salts, that is, nitrogen atoms or other basic check points, chloride ions and their equilibrium charges, changing the physical and chemical properties of the compound, such as solubility.
The structure of this compound is composed of core heterocycles, substituents and salt-forming forms, forming a unique chemical structure, and different parts interact with each other to determine its potential properties and uses in organic synthesis, pharmaceutical chemistry and other fields.
What are the main uses of 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamide HCL?
1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidine hydrochloride is an organic compound. It has a wide range of uses and is often used as a key intermediate in the synthesis of many drugs in the field of medicinal chemistry.
Looking at many books on drug development, such compounds containing pyrazolo-pyridine structures show significant affinity and selectivity for specific receptors or enzymes. For example, some of the drugs based on it can precisely act on intracellular signal transduction pathways, affect the proliferation, differentiation and apoptosis of tumor cells, and may become the direction of anti-cancer drug development.
Furthermore, due to its unique chemical structure and properties, it also has potential applications in the field of agricultural chemistry. Or it can be modified and developed into a new type of pesticide for the prevention and control of pests, pathogens, etc., and contribute to the prevention and control of pests and diseases in agricultural production.
With its special structure and activity, this compound provides many possibilities and research opportunities for the innovation and development of medicine and agricultural chemistry, and plays an important role in human health and sustainable agricultural development.
What are the physical properties of 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamide HCL?
1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidine hydrochloride, which is often a solid with a specific melting point, is an important indicator for identification and purity evaluation, but the exact value varies depending on the preparation and test conditions. Its solubility is different from that of different solvents. Generally speaking, it has better solubility in polar organic solvents such as methanol and ethanol. Due to the polar group contained in the molecular structure, it can form hydrogen bonds or other interactions with polar solvents; it has poor solubility in non-polar solvents such as n-hexane.
Its stability is acceptable under normal conditions, but it is sensitive to light, heat and humidity. Under light, intra-molecular chemical bonds may be excited by electrons due to absorption of light energy, triggering photochemical reactions to cause structural changes; high temperature accelerates the thermal movement of molecules, or causes chemical bonds to break and rearrange; in high humidity environments, due to the presence of groups that can interact with water, or absorb moisture or even hydrolyze, affect the quality and purity.
From a chemical point of view, containing amidine groups and pyridine rings, it is alkaline and can react with acids to form salts, and hydrochloride salts are the reaction products. In the field of organic synthesis, these active check points can participate in a variety of reactions, such as nucleophilic substitution and electrophilic substitution, to construct more complex compound structures, laying the foundation for the design and synthesis of new drugs in pharmaceutical chemistry.
What are the synthesis methods of 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamide HCL?
There are various ways to synthesize 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidine hydrochloride.
First, the pyridine derivative can be started from a suitable pyridine derivative. First, the pyridine derivative and the fluorobenzyl reagent are nucleophilic substitution in the presence of a suitable base and solvent. This reaction requires careful selection of the strength of the base and the polarity of the solvent to promote the smooth occurrence of the reaction and obtain the intermediate of 1- (2-fluorobenzyl) pyridine. Subsequently, the intermediate was cyclized with a reagent containing a pyrazole structure to construct a pyrazolo [3,4-b] pyridine skeleton. The precise regulation of reaction conditions, such as temperature, reaction time and the proportion of reactants, is critical, which can affect the cyclization efficiency and product purity. Finally, the resulting pyrazolo [3,4-b] pyridine derivative is formamidinated. Cyanamide or its derivatives are often reacted with intermediates under specific conditions, and then acidified with hydrochloric acid to obtain the target product 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidine hydrochloride. < Br >
Second, it can also start from the parent of pyrazolo [3,4-b] pyridine. First, the 3-position of the parent is appropriately modified, and a functional group that can be converted into formamidine is introduced. At the same time, 2-fluorobenzyl is added at the 1-position through nucleophilic substitution or other suitable reactions. After each step of the reaction is completed, the 3-position functional group is converted into formamidine, and the target compound is also treated with hydrochloric acid. In the
synthesis process, each step of the reaction needs to be carefully monitored and optimized to achieve the target product with high yield and high purity. Many factors, such as reaction conditions and reagent purity, have a profound impact on the success or failure of the synthesis and product quality.
What are the precautions for the use of 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamide HCL?
1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidine hydrochloride When using this product, many matters need to be paid attention to. First and foremost, safety is paramount. Due to its chemical properties, or potential harm to the human body, when exposed, it must be fully armed and well protected. Such as gloves, goggles, protective clothing, etc., are readily available to prevent it from coming into contact with the skin and eyes, or accidentally inhaling or ingesting, endangering health.
Furthermore, the operating environment should not be underestimated. It needs to be administered in a well-ventilated place. If conditions permit, it should be placed in a fume hood to prevent the accumulation of harmful gases. And the place must be kept away from fire and heat sources, because it may be flammable, to avoid the risk of fire and explosion.
In addition, the method of storage is also exquisite. It should be placed in a dry, cool and ventilated place, away from incompatible objects to prevent chemical reactions from causing it to deteriorate. And it should be properly marked, indicating the name, nature, hazard and other key information for easy access and management.
During operation, follow the operating procedures accurately, and do not change the dose or steps without authorization. The experimental instrument must be clean and dry to ensure accurate results. When weighing, measure accurately, and do not let errors affect the experimental results.
Finally, after use, properly dispose of the residue and waste, must not be discarded at will, and disposed of in accordance with relevant regulations to prevent environmental pollution.