Chemical Formula | C19H16FN7 |
Molecular Weight | 363.38 |
Iupac Name | 2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-4,5,6-triamine |
Appearance | Solid (predicted) |
Boiling Point | Predicted high boiling point due to strong intermolecular forces |
Melting Point | Predicted to have a melting point in a solid - phase relevant range |
Solubility | Limited solubility in water, higher solubility in organic solvents like DMSO |
Density | Predicted density based on similar aromatic - nitrogen - containing compounds |
Pka | Values associated with the basicity of the amine groups |
Logp | Indicative of lipophilicity, likely positive due to aromatic moieties |
Uv Vis Absorption | Absorption bands in the UV region due to conjugated π - systems |
Chemical Formula | C20H17FN8 |
Iupac Name | 2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-4,5,6-triamine |
Physical State | Solid (predicted) |
Boiling Point | N/A |
Solubility | Solubility in water is likely low, may have better solubility in organic solvents like DMSO, methanol etc. (predicted) |
Density | N/A |
Pka | N/A |
Logp | Predicted to be lipophilic, positive logP value (predicted) |
What is the chemical structure of 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl) pyrimidine-4,5,6-triamine?
Alas! This is the chemical formula of organic chemicals. 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridino-3-yl) pyrimidine-4,5,6-triamine, its chemical structure is quite delicate.
Looking at its name, it can be analyzed gradually. "Pyrimidine-4,5,6-triamine", this is the core structure of the base, the pyrimidine ring is a six-membered nitrogen-containing heterocycle, which has three amino groups connected to the 4,5,6 positions.
And "2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl) " is a substituent attached to the 2-position of the pyrimidine ring. Among them, "1H-pyrazolo [3,4-b] pyridine" is another fused heterocyclic structure. The pyrazole ring fuses with the pyridine ring in a specific way, and the 1-position is a hydrogen atom. "1- (2-fluorobenzyl) " indicates that there is a benzyl group connected to the 1-position of the pyrazolo-pyridine ring, and the ortho-position (2-position) of this benzyl group is replaced by a fluorine atom.
In summary, the structure of this compound is composed of a pyrimidine triamine core and a specific substituted pyrazolo-pyridinyl group, which is an exquisite structure of organic chemistry and may have unique properties and uses in the fields of organic synthesis and medicinal chemistry.
What are the physical properties of 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl) pyrimidine-4,5,6-triamine?
2-%281-%282-fluorobenzyl%29-1H-pyrazolo%5B3%2C4-b%5Dpyridin-3-yl%29pyrimidine-4%2C5%2C6-triamine is the English name of a chemical substance, which has unique physical properties. This substance is mostly in the form of a solid, at room temperature, it is stable and does not easily react with the surrounding environment. Looking at its color, it is often white or off-white, like the first snow in winter, pure and flawless.
When it comes to the melting point, the melting point is quite considerable, and a higher temperature is required to melt it from a solid state to a liquid state, just like a tough thing, which cannot be changed without strong force. The boiling point remains high, showing that its intermolecular force is strong, the structure is stable, and it is like a strong fortress, which is not easy to be easily disintegrated by the outside world.
In terms of solubility, it has very little solubility in water, just like oil and water. However, in organic solvents, it can show better solubility, such as common organic solvents ethanol and dichloromethane, which can be evenly dispersed like a duck to water.
Its density is greater than that of water. If it is placed in water, it will sink to the bottom like a stone and slowly sink. From appearance to internal characteristics, 2-%281-%282-fluorobenzyl%29-1H-pyrazolo%5B3%2C4-b%5Dpyridin-3-yl%29pyrimidine-4%2C5%2C6-triamine have their own unique characteristics, which have far-reaching impact on its application in chemical, pharmaceutical and other fields.
What are the common synthesis methods of 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl) pyrimidine-4,5,6-triamine?
To prepare 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl) pyrimidine-4,5,6-triamine, there are several common synthesis methods.
One is to react fluorobenzyl halide with 1H-pyrazolo [3,4-b] pyridine-3-amine to form 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-amine intermediate. In this step, it is necessary to select suitable bases and solvents, such as potassium carbonate, sodium carbonate, etc., solvents such as acetonitrile, N, N-dimethylformamide, and control the temperature and reaction time to promote the efficient progress of the reaction. Subsequently, the intermediate reacts with pyrimidine-4,5,6-triamine derivatives, and through appropriate catalytic conditions, the target product can be obtained. In this process, precise control of the reaction conditions is extremely critical, which affects the purity and yield of the product.
Second, a pyrazolo [3,4-b] pyridine skeleton can be constructed first, and then fluorobenzyl and pyrimidine-4,5,6-triamine parts can be introduced. By ingeniously designing the reaction sequence, the structure of pyrazolo [3,4-b] pyridine is first synthesized from suitable raw materials, and then fluorobenzyl is introduced by halogenation reaction or other functional group conversion reaction, and finally condensation reaction with pyrimidine-4,5,6-triamine. This approach requires in-depth understanding of the selectivity and reactivity of each step of the reaction to ensure that each step of the reaction proceeds in the expected direction and reduce the occurrence of side reactions.
Third, you can also try to use the one-pot synthesis strategy. The starting materials and reagents are added to the reaction system in a specific order and ratio, and under appropriate conditions, the target product is directly generated through successive reaction steps. Although this method can simplify the operation process and shorten the reaction route, the requirements for the reaction conditions are more stringent, and parameters such as reaction temperature, pH, and reactant ratio need to be carefully adjusted to achieve efficient and selective synthesis.
The above methods have their own advantages and disadvantages. In the actual synthesis, it is necessary to comprehensively consider many factors such as the availability of raw materials, cost, difficulty of reaction and the purity requirements of the target product, and carefully select the appropriate synthesis method to achieve the ideal synthesis effect.
In what fields is 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl) pyrimidine-4,5,6-triamine used?
2-%281-%282-fluorobenzyl%29-1H-pyrazolo%5B3%2C4-b%5Dpyridin-3-yl%29pyrimidine-4%2C5%2C6-triamine is a complex organic compound. It can be used in many fields such as medicine, agriculture, and materials science.
In the field of medicine, such nitrogen-containing heterocyclic compounds often have diverse biological activities. Due to their unique chemical structures, they may exhibit good anti-tumor activities. Studies have shown that many compounds containing pyrazolopyridine and pyrimidine structures can precisely act on specific targets in tumor cells, interfering with tumor cell growth, proliferation and metastasis, thus providing new opportunities for the development of anti-tumor drugs. In addition, it may also have antibacterial and antiviral activities, which can be used to develop new anti-infective drugs against drug-resistant bacteria and viral infections.
In the field of agriculture, the compound may be used as a new type of pesticide. With its inhibitory effect on certain insects and plant pathogens, it can be used for pest control. Its special structure can bind to key enzymes or receptors in pests or pathogens, destroy their normal physiological functions, and achieve the purpose of protecting crops. Compared with traditional pesticides, it may have higher selectivity and lower environmental toxicity.
In the field of materials science, such compounds may be able to participate in the construction of new functional materials. Due to its specific electronic structure and optical properties, it may be applied to organic Light Emitting Diode (OLED) materials. It can achieve efficient luminescence under the action of electric fields, providing new options for the development of display technology; or it can be used to prepare chemical sensor materials, using its specific interaction with specific substances to achieve highly sensitive detection of harmful substances or biomolecules in the environment.
What is the market outlook for 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridin-3-yl) pyrimidine-4,5,6-triamine?
Nowadays, there is a compound named 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl) pyrimidine-4,5,6-triamine. The prospect of this compound in the market is really what everyone is concerned about.
In the field of current pharmaceutical research and development, many researchers are dedicated to exploring new specific drugs. Such compounds containing heterocyclic structures are often the focus of research and development because of their unique chemical properties and potential biological activities. 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyrimidine-3-yl) pyrimidine-4,5,6-triamine, the structural combination of pyrazolo-pyrimidine and pyrimidine may interact with specific biological targets. In the development path of anti-tumor, antiviral and neurological diseases, there may be opportunities for emerging.
Furthermore, the field of pesticides is also its potential application. At present, green, efficient and low-toxicity pesticides are the direction of industry development. If this compound can demonstrate effective inhibitory activity against pests or pathogens, it will be able to gain a place in the pesticide market and contribute to the sustainable development of agriculture.
However, although the market prospect is bright, there are still challenges. The process of synthesizing this compound needs to be efficient, environmentally friendly and cost-controllable in order to achieve large-scale production. And in the process of biological activity testing and safety assessment, it also needs to be strictly treated to ensure that it is safe in application.
In summary, 2- (1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-yl) pyrimidine-4,5,6-triamine has potential market value in the fields of medicine and pesticides. Over time, with the unremitting efforts of scientific research and industry, it may bloom and serve human health and production and life.