Chemical Formula | C14H11ClF2N4 |
Molecular Weight | 310.72 |
Melting Point | Unknown |
Boiling Point | Unknown |
Solubility In Water | Unknown |
Solubility In Organic Solvents | Unknown |
Pka | Unknown |
Logp | Unknown |
Density | Unknown |
Crystal Structure | Unknown |
Stability Under Normal Conditions | Unknown |
Hazardous Nature | Unknown |
Chemical Formula | C14H11ClF2N5 |
Appearance | Solid (predicted) |
Physical State | Solid |
What is the chemical structure of 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamidium chloride?
This is a question about the chemical structure of "5 - fluoro - 1 - (2 - fluorobenzyl) - 1H - pyrazolo [3,4 - b] pyridine - 3 - carboximidamidium chloride". To understand its structure, first analyze the name. " 5 - fluoro "indicates a fluorine atom substitution at a specific position," 1 - (2 - fluorobenzyl) "has 2 - fluorobenzyl in the first position of the table," 1H - pyrazolo [3,4 - b] pyridine "determines its core to be pyrazolo [3,4 - b] pyridine parent nucleus," 3 - carboximidamidium chloride "refers to the 3-position containing formamidine group and forming a chloride.
This compound is based on pyrazolo [3,4 - b] pyridine, the 5-position fluorine atom adds its characteristics, and the 1-position is connected to 2 - fluorobenzyl to increase its structure. The 3-position formamidine group forms a chloride, or involves special reactions and properties. In the structure, the pyridine ring is fused with the pyrazole ring, and each substituent is distributed at the corresponding check point according to its name, jointly forming its unique chemical structure and affecting its physical, chemical and biological activities. In this way, the chemical structure of "5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamidium chloride" is obtained.
What are the physical properties of 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamidium chloride
5-Fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidonium chloride, an organic compound. Its physical properties are crucial for its application in various scenarios.
Looking at its morphology, it may be white to off-white crystalline powder under normal conditions, which makes it visually easy to identify and distinguish.
Solubility is also one of the important physical properties. In organic solvents, such as methanol and ethanol, it may exhibit a certain solubility, which is convenient for dissolving it to participate in reactions in chemical synthesis, drug preparation, etc., or for configuring solution systems. However, its solubility in water may be relatively limited, which may affect its application in aqueous environments.
Melting point is also a key indicator. After determination, its melting point is in a specific temperature range, which is of great significance to its stability and processing process. When heated, near the melting point temperature, its physical state may change, from solid state to liquid state, which is essential for the control of process steps such as crystallization and purification. < Br >
In terms of stability, the compound may have certain stability under conventional environmental conditions. However, when exposed to extreme conditions such as high temperature, strong acid, and strong alkali, its chemical structure may change, affecting its performance and efficacy.
In addition, its density is also a specific value. Although the effect of this property is not as significant as solubility and melting point in some application scenarios, it cannot be ignored in accurate stoichiometry and material balance calculations. These physical properties are interrelated and together determine the applicability and application of 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidonium chloride in different fields.
What is the main use of 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamidium chloride
5 - fluoro - 1 - (2 - fluorobenzyl) - 1H - pyrazolo [3,4 - b] pyridine - 3 - carboximidamidium chloride (5 - fluoro - 1 - (2 - fluorobenzyl) - 1H - pyrazolo [3,4 - b] pyridine - 3 - formamidine chloride), this is an organic compound. Its main use is of great significance in the field of pharmaceutical and pesticide research and development.
In the field of pharmaceutical research and development, due to its unique chemical structure and properties, it may exhibit significant biological activity. Scientists often conduct in-depth research on this lead compound, hoping to create new drugs with better efficacy and higher safety through subtle modification and optimization of its structure. For example, fine-tuning its structure, exploring its interaction with specific biological targets, and then searching for drug molecules with high therapeutic effect on specific diseases. Such compounds may become key breakthroughs in the development of therapeutic drugs for certain cancer and inflammation-related diseases.
In the field of pesticide research and development, this compound also has potential application value. Due to its chemical properties, it may be developed into a pesticide with a unique mechanism of action for the prevention and control of crop diseases and pests. With the help of structural modification and optimization, its lethality to specific pests or pathogens can be enhanced, while reducing the impact on the environment and non-target organisms, providing strong support for sustainable agricultural development.
From this perspective, 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamidium chloride is like a seed with infinite possibilities in the research and development of medicines and pesticides, providing a new opportunity and direction for solving problems in related fields.
What are the synthesis methods of 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamidium chloride
5 - fluoro - 1 - (2 - fluorobenzyl) -1H - pyrazolo [3,4 - b] pyridine - 3 - carboximidamidium chloride is an organic compound, and there are many synthesis methods. Several common ones are described in detail below.
First, it can be started from a specific pyridine derivative. First take the pyridine containing a suitable substituent, and after halogenation, introduce fluorine atoms into the pyridine ring. In this step, suitable halogenating reagents and reaction conditions need to be selected. For example, a specific halogenating agent reacts in a specific temperature and solvent to precisely control the reaction process to obtain a fluorine-containing pyridine intermediate. Subsequently, through a condensation reaction, the intermediate is connected to a reagent containing a benzyl structure to form a benzyl-containing pyridine derivative. This condensation reaction requires the selection of an appropriate catalyst and base to adjust the reaction temperature and time to obtain the desired linking product. Next, the structure of pyrazolopyridine is constructed by cyclization reaction. This process may require the catalysis of a specific acid or base to promote the cyclization of molecules at appropriate temperatures and solvents to generate key intermediates. Finally, the intermediate is converted into the salt chloride form of the target product through the reaction of amination and salt formation. The ammonia source and reaction conditions need to be selected for the amination step, and the amount of chlorination agent and the reaction environment need to be controlled for the salt formation reaction.
Second, it can also be started from pyrazole derivatives. Pyrazoles containing suitable substituents are synthesized first, and fluorine atoms and other necessary substituents are introduced at specific positions in the pyrazole ring through a series of reactions, such as substitution, halogenation, etc. After that, the pyrazolopyridine structure is constructed by reacting with pyridine compounds. This reaction requires the selection of suitable coupling reagents and reaction conditions to achieve precise connection. Then, through the step of introducing benzyl, it reacts with 2-fluorobenzyl reagents to introduce benzyl. Similarly, finally, 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamidium chloride is obtained by amination and salt formation.
When synthesizing this compound, each step of the reaction needs to pay attention to the precise control of the reaction conditions, including temperature, pressure, reaction time, reagent dosage, etc., in order to improve the yield and selectivity of the reaction. And after each step of the reaction, it is often necessary to purify the product by means of column chromatography, recrystallization, etc., to remove impurities and obtain high-purity target products. Different synthesis routes have their own advantages and disadvantages. In practical applications, the optimal synthesis path should be selected according to the availability of starting materials, reaction cost, ease of operation and other factors.
What are the precautions for the use of 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboximidamidium chloride
5-Fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-formamidine chloride. When using this product, pay attention and do not neglect it.
Bear the brunt, safety must be kept in mind. This is a chemical substance, or toxic or irritating. During operation, appropriate protective equipment, such as gloves, goggles, protective clothing, etc. are required to prevent contact with skin, eyes, etc. If accidentally touched, rinse with plenty of water immediately, and according to specific circumstances, or seek medical treatment.
Furthermore, its preservation is also exquisite. It should be placed in a dry, cool and well-ventilated place, away from fire and heat sources. Due to its chemical properties, improper storage or deterioration will affect the use or cause danger.
When taking it, accurate weighing is essential. According to the amount required for experiment or production, take it with a precise measuring tool, and do not do it at will. Excessive or small amounts may affect the follow-up reaction process and results.
The use environment should also be paid attention to. It should be operated in a fume hood to allow the volatile gas to be discharged in time to avoid accumulation in the room and endanger personal health. And the operation area should be kept clean and orderly, and the utensils used should also be clean to prevent impurities from mixing and interfering with the reaction.
In addition, it is necessary to have a deep understanding of its chemical properties. Know what it can react with and what conditions are suitable in order to use it properly, avoid unexpected reactions, and ensure a smooth use process.