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What are the physical properties of 7-chloro-2-methyl-5- (trifluoromethyl) -1H-pyrrole [3,2-b] pyridine-6-formonitrile
7-Deuterium-2-methyl-5- (trifluoromethyl) -1H-indazolo [3,2-b] indazole-6-acetic acid, this is an organic compound. Looking at its physical properties, generally speaking, under normal temperature and pressure, it is mostly in a solid state. This is due to the interaction of van der Waals forces and hydrogen bonds between the molecules, resulting in an orderly arrangement of molecules, so it is in a solid state.
In terms of melting point, due to the complexity and rigidity of the molecular structure, and the strong intermolecular forces, the melting point may be relatively high. However, the exact melting point value will vary slightly depending on the purity of the compound and the experimental measurement conditions.
In terms of solubility, the compound contains polar carboxyl groups, which have a certain hydrophilicity; at the same time, there are non-polar groups such as deuterium, methyl, and trifluoromethyl, which may cause its solubility in water to be limited. However, in organic solvents such as dichloromethane, chloroform, N, N-dimethylformamide, etc., it may have good solubility. Because these organic solvents can form similar intermolecular forces with compound molecules, satisfying the principle of "similar miscibility".
Its density is also related to the molecular structure and composition. In view of the fluorine atom, the relative mass of fluorine atoms is relatively large, and the spatial structure of trifluoromethyl is relatively compact, or the density of the compound is relatively large. However, the actual density still needs to be determined by accurate experimental determination. As for its appearance, in a pure state, it may be white to off-white crystalline powder. This is because organic compounds are mostly powdery or crystalline in the solid state, and there is no obvious chromophore in the structure of the compound. Therefore, it is likely to be white or off-white.
What are the synthesis methods of 7-chloro-2-methyl-5- (trifluoromethyl) -1H-pyrrole [3,2-b] pyridine-6-formonitrile
To prepare 7-bromo-2-methyl-5- (trifluoromethyl) -1H-pyrazolo [3,2-b] pyridine-6-carboxylic acid, there are three methods.
One is the halogenated carboxylation method. First, a suitable pyridine derivative is used as the starting material, and under specific reaction conditions, methyl and trifluoromethyl are introduced at a specific position on the pyridine ring. In this step, a suitable reagent and reaction environment are selected to ensure the accurate substitution position. Then, when the pyridine ring is constructed, the pyridine [3,2-b] pyridine structure is formed by a specific cyclization reaction. The key lies in the control of the reaction conditions during the formation of the pyrazole ring to prevent the growth of side reactions. Finally, through the halogenation reaction, bromine atoms are introduced at the specified position, and then through the carboxylation reaction, the carboxyl group is connected at the target check point to obtain 7-bromo-2-methyl-5- (trifluoromethyl) -1H-pyrazolo [3,2-b] pyridine-6-carboxylic acid. There are many steps in this pathway, but the reaction of each step is relatively mature, and the conditions are easier to control.
The second is the functional group conversion method. Starting from the pyridine derivatives containing appropriate functional groups, the functional groups on the pyridine ring are first transformed and modified, so that the pyridine ring has an activity check point suitable for subsequent reactions. After constructing the pyrazolopyridine ring, the existing functional groups are gradually converted into the target bromine atom and carboxyl group. For example, a functional group can be converted into a halogenated group, halogenated to obtain a bromine substitute, and then another functional group can be converted into a carboxyl group through a series of reactions. This method requires a thorough understanding of the conversion mechanism of functional groups, precise design of the reaction sequence, to ensure the smooth progress of each step of the reaction, and to reduce unnecessary side reactions.
The third is the direct synthesis method. The specific structure of the starting material is selected to construct a pyrazolopyridine ring in one step, and bromine atom, methyl group, trifluoromethyl group and carboxyl group are introduced at the same time. Although this method is simple, it requires strict starting material requirements, and the reaction conditions are extremely complex, requiring precise regulation of reaction temperature, pressure, catalyst and many other factors. Due to the simultaneous introduction of polyfunctional groups, the control of reaction selectivity is quite challenging. The reaction mechanism needs to be deeply studied, and the catalyst and reaction solvent should be carefully screened to improve the yield and purity of the target product.
In which fields is 7-chloro-2-methyl-5- (trifluoromethyl) -1H-pyrrolido [3,2-b] pyridine-6-formonitrile used?
7-Tritium-2-methyl-5- (trifluoromethyl) -1H-pyrrolido [3,2-b] pyridine-6-formic acid, which has applications in pharmaceutical research and development, materials science and other fields.
In the field of pharmaceutical research and development, it may have unique biological activities. Because the structure of pyridine and pyrrolido ring is common in many drug molecules, and trifluoromethyl, methyl and formic acid groups can significantly affect the molecular lipophilicity, electron cloud distribution and steric hindrance. For example, in the research of anti-cancer drugs, such structures may precisely act on specific targets of cancer cells, interfering with the growth, proliferation and metastasis of cancer cells by interacting with related proteins or enzymes, providing a new direction for the creation of new anti-cancer drugs; in the development of anti-infective drugs, it may also rely on its special structure to effectively inhibit key metabolic enzymes of pathogens or interfere with their cell wall and cell membrane synthesis, exhibiting antibacterial and antiviral activities.
In the field of materials science, this compound may be used as a key monomer for building functional materials due to its specific functional groups and heterocyclic structures. For example, in the preparation of organic optoelectronic materials, their unique electronic structure or excellent photoelectric properties can be used to fabricate organic Light Emitting Diodes (OLEDs), organic solar cells and other devices to improve the device's luminous efficiency, charge transport capacity and stability; in the field of polymer materials, or can be introduced into the polymer backbone as a comonomer to change the polymer solubility, thermal stability and mechanical properties, etc., to broaden the application range of polymer materials.
What are the market prospects for 7-chloro-2-methyl-5- (trifluoromethyl) -1H-pyrrolido [3,2-b] pyridine-6-formonitrile?
Guanfu 7-chloro-2-methyl-5- (trifluoromethyl) -1H-indazolo [3,2-b] indazine-6-carboxylic acid has a promising market prospect.
In today's world, pharmaceutical research and development is booming, and this compound has potential applications in the field of medicine. In the creation of new drugs, its unique chemical structure may become a key active group. Because of its fluorine atom, the cap can significantly change the physical and chemical properties of the compound, such as lipophilicity, metabolic stability, etc. This property may make it easier for drugs developed based on this compound to penetrate biofilms, improve bioavailability, and be more stable in the metabolic process in the body, prolonging the time of drug action.
Furthermore, in the field of pesticides, compounds with such structures may also have opportunities to emerge. The problem of pest resistance is becoming more and more serious, and new and efficient pesticide ingredients are urgently needed. The special structure of 7-chloro-2-methyl-5- (trifluoromethyl) -1H-indazolo [3,2-b] indazine-6-formic acid may endow it with high-efficiency inhibition or killing activity against specific pests, and the impact on the environment is relatively small, which is in line with the current development trend of green pesticides.
From the perspective of market demand, whether it is the need of pharmaceutical companies for innovative drug research and development raw materials or the demand of pesticide companies for new active ingredients, it indicates that there is a broad market space for this product. With the continuous progress of science and technology and the continuous increase in R & D investment, it is expected to further explore its potential application value and expand the market scale. Therefore, 7-chloro-2-methyl-5- (trifluoromethyl) -1H-indazolo [3,2-b] indazine-6-carboxylic acid has a bright future and deserves the attention and exploration of the industry.
What are the precautions in the preparation of 7-chloro-2-methyl-5- (trifluoromethyl) -1H-pyrrolido [3,2-b] pyridine-6-formonitrile
In the process of preparing 7-bromo-2-methyl-5- (trifluoromethyl) -1H-indazolo [3,2-b] indazolo-6-carboxylic acid, many matters need to be paid attention to.
Quality of the first raw material. All raw materials used must be pure and impurities are rare. If the raw material is impure, impurities may form side reactions between reactions, resulting in impure products and lower yields. For example, if the bromide raw material contains impurities, or the bromide reaction is not as expected, a non-target bromide is generated, and subsequent separation and purification are difficult.
Control of reaction conditions is the key. In terms of temperature, different reaction stages have suitable temperatures. If the temperature rises too fast or too dramatically, the reaction may be out of control, resulting in frequent side reactions; if the temperature is too low, the reaction will be slow, time-consuming, and the yield will also be affected. Take a step reaction as an example, if the appropriate temperature or in a certain range fluctuates a little, the purity and yield of the product will be different. The same is true for pH. Many reactions can proceed smoothly in a specific pH environment. Peracid or alkali, or cause structural changes in the reactants, hinder the reaction, or even decompose the product. The selection and dosage of
catalysts should not be underestimated. Appropriate catalysts can reduce the activation energy of the reaction and speed up the reaction rate. However, if there are too many catalysts, the reaction speed may be difficult to control; if there are too few, the catalytic effect will be poor. If a specific catalyst is selected for a reaction, the dosage should be precisely determined according to the scale of the reaction and the characteristics of the raw materials, so that the reaction is efficient and stable.
Separation and purification steps also need to be cautious. After the product is generated, it is mixed with unreacted raw materials, by-products, etc. Select the appropriate separation method to the best, and each has its own applicable scenarios such as extraction, distillation, and recrystallization. Improper operation, or loss of the product, the purity is difficult to meet the requirements. If the solvent is selected incorrectly during recrystallization, or the solubility of the product is too high or too low, the crystallization effect is poor, and the product purity and collection rate are affected The instrument is not clean, dry, or impurities are introduced; the feeding sequence is wrong, or it may cause danger, or make the reaction difficult to achieve expectations. In short, the preparation of this compound is closely related to each link, and the negligence of any link can affect the quality and yield of the product.