What are the main uses of 5- (1H-pyrrole-1-yl) -2-mercaptobenzimidazole?

5- (1H-pyrrole-1-yl) -2-pyridylbenzofuranone is an organic compound. Its main uses are rich in the field of medicine. With its specific chemical structure and biological activity, it can act as a key intermediate in drug synthesis. Studies have shown that the introduction of pyrrole and pyridyl can significantly affect the ability of compounds to bind to biological targets. For example, in the development of many anti-cancer drugs, this substance can precisely act on specific proteins of cancer cells and inhibit the proliferation of cancer cells after modification.

In the field of materials science, this compound can be used as a functional material building block. Due to its unique optical and electrical properties, it can be used to fabricate optoelectronic devices such as organic Light Emitting Diodes (OLEDs) and organic field effect transistors (OFETs). For example, in the design of OLED materials, its structure can optimize the luminous efficiency and stability, contributing to the development of display technology.

In the field of organic synthetic chemistry, it is an important module for building complex organic molecules. Through various chemical reactions, such as nucleophilic substitution, coupling reactions, etc., different functional groups can be introduced, expanding the diversity of molecular structures, and assisting in the synthesis of organic compounds with specific functions and structures, promoting the progress of organic synthetic chemistry.

What are the physical properties of 5- (1H-pyrrole-1-yl) -2-mercaptobenzimidazole?

5- (1H-pyrazole-1-yl) -2-pyridyl benzimidazole compounds have a variety of unique physical properties. In appearance, they are mostly crystalline solids, with white to light yellow color, regular crystalline morphology and fine texture. This is due to the orderly arrangement and interaction of their molecular structures.

From the melting point point point point, such compounds have relatively high melting points, usually in the range of 200-300 ° C. This is because there are strong forces between molecules, such as hydrogen bonds 、π - π stacking, which make the molecules tightly bound and require high energy to destroy the lattice and melt.

In terms of solubility, the compound exhibits certain solubility in common organic solvents, such as dichloromethane, N, N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), etc. In dichloromethane, because the polarity of dichloromethane matches the partial structure of the compound, it can interact with it through intermolecular forces, so that it has a certain amount of solubility; DMF and DMSO form hydrogen bonds or dipole-dipole interactions with the compound by virtue of their strong polarity, thus showing better solubility. However, in water, due to the large proportion of its hydrophobic structure and the weak force between water molecules, the solubility is poor.

In terms of stability, the compound has good stability under normal temperature and pressure and dry environment. However, in high temperature, high humidity or strong acid-base environment, the structure may change. High temperature easily intensifies the thermal motion of molecules, causing chemical bonds to vibrate, distort or even break; strong acid-base will react with groups containing nitrogen, oxygen and other atoms in the compound, changing its chemical structure and affecting its stability.

These physical properties of 5- (1H-pyrazole-1-yl) -2-pyridyl benzimidazole compounds lay the foundation for their application in pharmaceutical chemistry, materials science and other fields. These properties need to be fully considered in research and application.

What are the synthesis methods of 5- (1H-pyrrole-1-yl) -2-mercaptobenzimidazole?

5- (1H-pyrazole-1-yl) -2-alkynylbenzofuranone is a class of organic compounds with important biological activities, and its synthesis methods have attracted much attention in the field of organic synthesis. The following are several common synthesis methods:

** 1. Using benzofuranone as the starting material **
1. ** Nucleophilic Substitution Reaction **: Select suitable halogenated benzofuranone, use 1H-pyrazole as nucleophilic reagent, and under alkaline conditions, such as potassium carbonate, sodium carbonate and other bases act on suitable solvents (such as N, N-dimethylformamide (DMF), dimethylsulfoxide (DMSO)). Through nucleophilic substitution reaction, the 1-position nitrogen atom of pyrazole attacks the carbon atom attached to the halogen atom of halogenated benzofuranone to construct the target compound. This reaction condition is relatively mild and easy to operate, but attention should be paid to the activity and reaction selectivity of halogenated benzofuranone.
2. ** Transition Metal Catalytic Coupling Reaction **: Using transition metal catalysts, such as palladium, copper and other catalytic systems. Halogenated benzofuranone and 1H-pyrazole metal salts (such as pyrazole lithium salts, etc.) are used as raw materials, and in the presence of ligands (such as triphenylphosphine, etc.), the coupling reaction is carried out in suitable solvents (toluene, dichloromethane, etc.). Palladium catalytic coupling reactions usually have high activity and selectivity, which can effectively achieve the synthesis of the target product, but the catalyst cost is high and the post-reaction treatment is relatively complicated.

** II. Pyrazole derivatives are used as starting materials **
1. ** Cyclization reaction **: First prepare pyrazole derivatives containing alkynyl and benzofuranone fragment precursors, and under suitable catalysts (such as Lewis acid, etc.) or heating conditions, promote intramolecular cyclization reactions to construct 5- (1H-pyrazole-1-yl) -2 -alkynyl benzofuranone structures. This method requires careful design of the precursor compound structure to ensure the smooth progress of the cyclization reaction, and the reaction conditions need to be controlled to avoid side reactions.
2. ** Multi-step reaction strategy **: After multi-step functional group transformation, for example, specific functional groups of pyrazole are first carried out, alkynyl groups and functional groups related to the formation of benzofuranone are introduced, and then the target compound is gradually constructed through a series of reactions such as condensation and cyclization. Although this strategy has many steps, it can precisely control the structure of the compound and is suitable for the synthesis of target products with complex structures.

There are various methods for synthesizing 5- (1H-pyrazole-1-yl) -2 -alkynyl benzofuranone. In practical applications, the most suitable synthesis path should be selected according to factors such as raw material availability, reaction conditions, purity and yield of the target product.

What is the chemical stability of 5- (1H-pyrrole-1-yl) -2-mercaptobenzimidazole?

The chemical stability of 5- (1H-pyrazole-1-yl) -2 -alkynylbenzothiazoline is related to many factors.

From the perspective of its molecular structure, 1H-pyrazole-1-yl is connected to 2-alkynylbenzothiazoline. The pyrazole ring has certain aromatic properties, and its conjugate system can endow the molecule with certain stability. However, the existence of alkynyl groups has high reactivity due to their carbon-carbon triple bonds. The carbon-carbon triple bond is rich in electrons and is vulnerable to attack by electrophilic reagents, triggering reactions such as addition, which may reduce the stability of the compound.

Furthermore, the benzothiazoline ring is also aromatic and can enhance the overall stability of the molecule. However, if there are substances in the environment that can interact with heteroatoms (such as nitrogen and sulfur) on the benzothiazoline ring, such as some metal ions or nucleophiles, they may interfere with the distribution of electron clouds in the molecule, which in turn affects the stability.

In different solvents, the stability of the compound also varies. If the solvent can form hydrogen bonds or other intermolecular forces with the compound, it may help to stabilize its structure; conversely, if the solvent reacts with the compound chemically, the stability may be significantly reduced.

Temperature is also a key factor. At high temperature, the molecular thermal motion intensifies, and the vibration of each chemical bond increases, or the chemical bond breaks, and the stability decreases; at low temperature, the molecular thermal motion weakens and the stability is relatively high.

In summary, the chemical stability of 5- (1H-pyrazole-1-yl) -2-alkynylbenzothiazoline is affected by various factors such as molecular structure, external environment such as solvent, temperature and reactants. Under specific conditions, various factors need to be considered comprehensively to accurately judge its stability.

What is the price range of 5- (1H-pyrrole-1-yl) -2-mercaptobenzimidazole in the market?

I haven't heard of the market price of "5- (1H-pyrrole-1-yl) -2-alkynylbenzofuranone". These substances are also rare chemicals, and their prices may vary greatly depending on the purity, source, and market demand.

If it is a high-purity scientific research agent for fine experiments, its price is high. For covering scientific research materials, the preparation often requires complicated methods, and the purity requirements are strict. The required manpower, material resources, and financial resources are huge, and the price may reach hundreds of gold per gram, or even thousands of gold. < Br >
If it is an industrial grade with a slightly lower purity, it can be used in general industrial processes. Due to the large dosage and ease of preparation, its price should be cheaper than that of scientific research grade, or the spectrum of thousands of gold per kilogram.

However, the market situation is fickle, and the price will fluctuate depending on the supplier and the region. To know the exact price, you should consult the chemical raw material supplier, reagent seller, or relevant trading platform to get a close price.