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What is the chemical structure of 5-Fluoro-1- (2-fluorobenzyl) -3-iodo-1H-pyrazolo [3,4-b] pyridine?
This is the name of the organic compound, and according to its name, its chemical structure can be deduced. "5 - Fluoro - 1 - (2 - fluorobenzyl) - 3 - iodo - 1H - pyrazolo [3,4 - b] pyridine", where "5 - Fluoro" indicates that the compound has a fluorine atom substitution at a specific position, and "1 - (2 - fluorobenzyl) " indicates that there is a 2 - fluorobenzyl at position 1. There is a fluorine atom at position 2 on the benzyl ring of this benzyl group, and an iodine atom at position 3 in the "3 - iodo" table. " 1H-pyrazolo [3,4-b] pyridine "is the core skeleton of the compound, namely 1H-pyrazolo [3,4-b] pyridine. This core skeleton is formed by fusing a pyrazolo ring with a pyridine ring, and the fusing method determines the atomic number and substituent position. Based on the information of various parts, it can be seen that the chemical structure of the compound contains a 1H-pyrazolo [3,4-b] pyridine core, with a fluorine atom at position 5, a 2-fluorobenzyl at position 1, and an iodine atom at position 3. In this way, the chemical structure of the compound is gradually constructed according to its name.
What are the main uses of 5-Fluoro-1- (2-fluorobenzyl) -3-iodo-1H-pyrazolo [3,4-b] pyridine?
5 - Fluoro - 1 - (2 - fluorobenzyl) - 3 - iodo - 1H - pyrazolo [3,4 - b] pyridine is an organic compound with a wide range of uses.
In the field of medicinal chemistry, this compound may have significant biological activity. Due to its unique chemical structure, it may be able to bind to specific biological targets. For example, it may be used as a potential kinase inhibitor. Kinases are essential in cell signaling pathways. If the compound can precisely inhibit specific kinases, it has the potential to be developed as a drug for the treatment of related diseases, such as certain cancers. The proliferation, survival and metastasis of cancer cells are often related to abnormal kinase activities. This compound may inhibit the growth and spread of cancer cells by inhibiting related kinases.
In the process of drug development, it can also be used as a lead compound. Researchers can modify and optimize the structure based on its structure to improve its pharmacological properties, such as enhancing activity, improving pharmacokinetic properties, and reducing toxic and side effects. After a series of chemical synthesis and biological evaluations, more potential drug candidates may be derived.
In the field of materials science, such heterocyclic compounds containing fluorine and iodine, or due to the special properties of fluorine and iodine atoms, endow materials with unique photoelectric properties. For example, in organic Light Emitting Diode (OLED) materials, it can adjust the energy level structure of the material to improve the luminous efficiency and stability, and then be used to manufacture display screens with better performance.
In addition, in the field of organic synthetic chemistry, 5-Fluoro-1- (2-fluorobenzyl) -3-iodo-1H-pyrazolo [3,4-b] pyridine can be used as a key intermediate. With its active reaction check point, it can construct more complex organic molecular structures through various chemical reactions, providing an important basic raw material and synthesis strategy for the development of organic synthetic chemistry.
What is the synthesis method of 5-Fluoro-1- (2-fluorobenzyl) -3-iodo-1H-pyrazolo [3,4-b] pyridine?
5 - Fluoro - 1 - (2 - fluorobenzyl) - 3 - iodo - 1H - pyrazolo [3,4 - b] pyridine is an organic compound. The method of synthesizing this compound is often based on the general strategy and reaction mechanism of organic synthesis. A feasible synthesis path is described in detail as follows:
The starting material is selected from a compound containing a pyridine structure and a reagent containing fluorobenzyl and iodine. The first step is to prepare a pyridine derivative. Under suitable reaction conditions, the specific position of the pyridine ring is modified, and fluorine atoms are introduced, which can be achieved by nucleophilic substitution or electrophilic substitution reaction. This step requires careful regulation of reaction conditions, such as temperature, catalyst, etc., to ensure that fluorine atoms are precisely introduced into the target location to obtain high-purity fluoropyridine intermediates.
Next step, the structure of pyrazolopyridine is constructed. Based on fluoropyridine intermediates, it is cyclized with hydrazine-containing compounds or reagents with pyrazole ring precursors to form a pyrazolopyridine skeleton. This cyclization reaction also needs to be precisely controlled, taking into account factors such as the proportion of reactants, reaction solvents and reaction time, in order to promote the formation of target cyclization products and avoid side reactions.
Furthermore, 2-fluorobenzyl is introduced. In a suitable reaction system, the resulting pyrazolopyridine intermediate is reacted with 2-fluorobenzyl halide or a reagent with 2-fluorobenzyl activity, and the 2-fluorobenzyl is connected to the 1-position of pyrazolopyridine by means of a nucleophilic substitution mechanism. This step requires attention to the mildness of the reaction conditions to prevent damage to the existing structure and to ensure that the substitution reaction is carried out efficiently.
Finally, iodine atoms are introduced at the 3-position of pyrazolopyridine. Generally, iodine substitutes are used. Under suitable reaction environments, halogenation reaction strategies are used to selectively replace hydrogen atoms at the 3-position by iodine atoms. This step requires high selectivity in the reaction. It is necessary to select the appropriate catalyst, reaction temperature and time to ensure the accurate introduction of iodine atoms into the target location, and finally successfully synthesize 5-Fluoro-1- (2-fluorobenzyl) -3-iodo-1H-pyrazolo [3,4-b] pyridine.
During the synthesis process, each reaction product needs to be strictly characterized by analytical methods such as nuclear magnetic resonance, mass spectrometry, and infrared spectroscopy to determine the structure and purity, and to ensure the accuracy and effectiveness of the synthesis route.
What are the physicochemical properties of 5-Fluoro-1- (2-fluorobenzyl) -3-iodo-1H-pyrazolo [3,4-b] pyridine?
5-Fluoro-1- (2-fluorobenzyl) -3-iodine-1H-pyrazolo [3,4-b] pyridine is an organic compound, and its physical and chemical properties are worthy of investigation.
First of all, its physical properties. The state of this substance is crystalline at room temperature and pressure, or in a solid state, because many such organic compounds containing heterocycles and halogen atoms are mostly in a solid state. Its melting point is estimated by structure, or at a specific temperature range, due to the presence of halogen atoms and conjugated heterocycles in the molecule, the intermolecular force is enhanced, and the melting point is increased. Its solubility is in organic solvents, or slightly soluble in common non-polar solvents, such as n-hexane, because its molecules have a certain polarity; while in polar organic solvents, such as dichloromethane, N, N-dimethylformamide, the solubility is slightly better. Due to the principle of similar miscibility, polar solvents can interact with the polar part of the compound.
As for chemical properties. This compound contains fluorine and iodine halogen atoms, and the activity of halogen atoms enables it to participate in many nucleophilic substitution reactions. Although fluorine atoms are strong electronegativity and carbon-fluorine bonds are stable, they can also be replaced under specific conditions, such as strong nucleophiles and high temperatures. The iodine atom has higher activity and is more prone to nucleophilic substitution, such as reacting with nucleophilic reagents such as sodium alcohol and amines to form new carbon-hetero atomic bonds. Furthermore, the pyrazolo [3,4-b] pyridine heterocyclic system has certain aromatic and basic properties, can form salts with acids, and can also participate in electrophilic substitution reactions. Because the pyridine ring nitrogen atom has an electron-absorbing effect, the electron cloud density of the pyrazole ring is uneven, and specific locations are more susceptible to electrophilic reagents. In addition, the methylene of the benzyl part has certain activity, and reactions such as oxidation and substitution can occur under appropriate conditions.
What is the price of 5-Fluoro-1- (2-fluorobenzyl) -3-iodo-1H-pyrazolo [3,4-b] pyridine in the market?
I do not know the market price of 5 - Fluoro - 1 - (2 - fluorobenzyl) - 3 - iodo - 1H - pyrazolo [3,4 - b] pyridine. This is a highly specialized and specific compound, and its price is determined by many factors.
First, the difficulty of preparing this compound affects its price. If the synthesis method is complicated, requires many steps, uses expensive raw materials and special reagents, and the yield is not high, its price must be high. If you want to make this compound, you need to go through multiple organic reactions, each step has yield loss, and the raw materials or reagents are rare, the cost will increase greatly, and the price will be high.
Second, market demand is also the key. If this compound is mostly used in cutting-edge drug research and development, it has unique effects in the treatment research of specific diseases, and the price will be higher if the demand is more. However, if it is only occasionally used for academic research, the demand is low, and the price may be relatively low.
Third, the production scale also affects the price. In large-scale production, due to the scale effect, the unit cost may be reduced, and the price may be more affordable; in small-scale production, the unit cost is high, and the price is also high.
Fourth, the number of suppliers has an impact. If multiple suppliers in the market supply this compound, the competition is intense, and the price may be depressed; if only a few can provide it, it may have the dominant pricing power, and the price may be high.
Because we have not checked the market information in detail, and this compound is highly professional, it is difficult to determine its specific price. To know its price, you can consult a professional chemical reagent supplier or check the data of the chemical product trading platform to obtain more accurate price information.