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What is the chemical structure of 1H-benzimidazole-4-fluoro-2-methyl-1- (1-methylethyl) -6-boronic acid pinacol ester?
The chemical structure of 1H-indopyrazine-4-alcohol-2-methyl-1- (1-methylethyl) -6-carbonyl acid piperidine ester is as follows:
The core structure of this compound is the indopyrazine ring system, which is formed by fusing the indole ring with the pyrazine ring, which endows the whole molecule with unique rigidity and conjugation system, which has a profound impact on its physicochemical properties and biological activities. In the fourth position of the indopyrazine ring, there is a hydroxyl group (-OH), which has strong polarity and can participate in the formation of intermolecular hydrogen bonds, or affect the solubility of compounds and the interaction with biological targets. The introduction of methyl (-CH
2) at the
position can change the electron cloud density distribution on the ring, which in turn affects the reactivity and lipophilicity of the molecule. The 1-position is connected to 1-methylethyl (-CH (CH) _ 2). This larger volume of branched alkyl not only increases the steric resistance of the molecule, but also significantly improves the lipid solubility of the molecule, which may affect its transmembrane transport ability and binding mode with biological macromolecules.
6-position carbonyl acid piperidine ester structure, carbonyl (C = O) is a strong electron-absorbing group, which can further adjust the electronic properties of molecules. In the piperidine ester part, the piperidine ring has a certain flexibility, which can better fit the spatial structure of the target through conformational changes when interacting with biological targets. The existence of ester groups (-COO -) not only affects the stability of the molecule, but also may serve as a potential hydrolysis check point in the in vivo metabolism process, affecting the metabolic pathway and pharmacokinetic properties of the compound.
Overall, the chemical structure of 1H-indopyrazine-4-alcohol-2-methyl-1- (1-methylethyl) -6-carbonyl acid piperidine ester fuses rigid fused rings, polar and non-polar groups, and structural fragments with potential metabolic check points. These structural characteristics jointly determine the unique physicochemical and bioactive properties of the compound.
What are the main uses of 1H-benzimidazole-4-fluoro-2-methyl-1- (1-methylethyl) -6-boronic acid pinacol ester?
1H-Indopyrazine-4-ether-2-methyl-1- (1-methylethyl) -6-carbonyl amide is a class of organic compounds with wide uses in the field of medicinal chemistry. Its main uses are as follows:
First, in drug development, such compounds exhibit significant biological activity. Due to its specific chemical structure, it can precisely interact with human biological macromolecules, such as proteins, nucleic acids, etc., so it is often used as a potential drug lead compound. For example, studies have found that some derivatives with such structures exhibit high affinity and inhibitory activity for specific disease-related targets. In the process of anti-cancer drug development, targeted interventions can be carried out on key proteins of specific signaling pathways of cancer cells, hindering the proliferation and metastasis of cancer cells, and providing a key direction for the creation of new anti-cancer drugs.
Second, 1H-indopyrazine-4-ether-2-methyl-1 - (1-methethyl) -6-carbonyl amide also has potential value in the exploration of therapeutic drugs for neurological diseases. In view of the similarity between its structure and the structure of some neurotransmitters or receptors in the nervous system, it can regulate the release of neurotransmitters, receptor activity, or participate in neural signal transduction processes. Studies have shown that it may improve neurodegenerative diseases, such as Alzheimer's disease, Parkinson's disease and other symptoms, opening up new paths for the treatment of neurological diseases.
Third, in the field of antibacterial drugs, this compound can be used as a structural modification template. Through the modification of its chemical structure in a specific position, a series of derivatives were synthesized. Some of the derivatives were confirmed to have antibacterial activity against some drug-resistant bacteria, providing new ideas for solving the problem of bacterial resistance. It is expected to develop new antibacterial drugs to deal with the increasingly serious problem of bacterial resistance.
What is the synthesis method of 1H-benzimidazole-4-fluoro-2-methyl-1- (1-methylethyl) -6-boronic acid pinacol ester?
To prepare 1H-indole-4-alcohol-2-methyl-1- (1-methylethyl) -6-sulfonate, the method is as follows:
First, with suitable starting materials, indole mother nuclei are gradually constructed by multi-step reaction. Usually aniline derivatives and pyruvate derivatives are used as the starting point, and under suitable catalyst and reaction conditions, the indole skeleton is formed by condensation, cyclization and other reactions. This process requires attention to the reaction temperature, pH and the ratio of the reactants to ensure that the reaction proceeds smoothly in the direction of generating the target indole structure.
Then, modify the specific position on the indole ring. The introduction of the hydroxyl group at the 4th position can be achieved by a suitable nucleophilic substitution reaction with a nucleophilic reagent containing hydroxyl groups and a properly activated check point reaction on the indole ring. The introduction of the methyl group at the 2nd position can be achieved by using a methylating reagent in a suitable base and reaction environment. 1-Methyl ethyl can be achieved by reacting with the corresponding halogenated hydrocarbon or other suitable hydrocarboning reagents under suitable conditions.
As for the access of the 6-position sulfonate group, the sulfonic acid is usually converted into a more active sulfonyl chloride first, and then reacts with the indole substrate under base catalysis to form a sulfonate bond. During the reaction process, thin-layer chromatography (TLC), nuclear magnetic resonance (NMR) and other analytical methods need to be monitored to confirm the structure and purity of the reaction products in each step, and to adjust the reaction conditions in time. In this way, after carefully designing and regulating the reaction in multiple steps, 1H-indole-4-alcohol-2-methyl-1 - (1-methethyl) -6-sulfonate can be obtained.
What are the physical properties of 1H-benzimidazole-4-fluoro-2-methyl-1- (1-methylethyl) -6-boronic acid pinacol ester?
1H-indole-4-alcohol-2-methyl-1- (1-methylethyl) -6-carboxylic acid esters are organic compounds with specific physical properties. The following is an ancient saying:
This compound is often solid at room temperature, and its appearance may be white to pale yellow crystalline powder. Its melting point is a specific value, which is the inherent property of the substance. When the temperature rises to the melting point, the compound melts from the solid state into a liquid state, like ice and warm water. The melting point can be determined by its purity. The melting point range is narrow for those who are pure, and wide for those who are miscellaneous.
Furthermore, its solubility is also an important physical property. In organic solvents, such as ethanol and ether, or have a certain solubility. In ethanol, or salt-like soluble in water, it can be uniformly dispersed to form a uniform system, due to the interaction between molecular forces and solvents. In water, the solubility may be extremely low, because its structure and water molecules have weak interaction, just like oil and water are difficult to dissolve.
In addition, the compound has a certain density. In terms of density, the mass per unit volume is also, and the value reflects the compactness of the substance. Although in conventional experimental operations, the density may not be as good as the melting point and the solubility is frequent, in chemical production, material preparation and other fields, density is also a key parameter, which is related to product quality and performance.
Furthermore, its volatility is very small. Volatility is related to the ability of compound molecules to escape from the liquid or solid surface. The low volatility of this compound means that at room temperature and pressure, the molecule is not easy to self-agglomerate into the gas phase, and the stability is high during storage, and it is not easy to be lost due to volatilization.
In summary, the melting point, solubility, density, and volatility of 1H-indole-4-alcohol-2-methyl-1- (1-methylethyl) -6-carboxylic acid esters are of great significance in many aspects of chemical research and industrial production, providing theoretical basis for their separation, purification, and application.
What are the precautions for storing and transporting 1H-benzimidazole-4-fluoro-2-methyl-1- (1-methylethyl) -6-boronic acid pinacol ester?
1H-benzofuran-4-aldehyde-2-methyl-1- (1-methylethyl) -6-carboxylic acid compounds need to pay attention to many key matters during storage and transportation.
First, because of its relatively active chemical properties, it is easy to react with oxygen, moisture and other substances in the air, so the storage environment must be dry and well sealed. It should be stored in a cool place away from direct sunlight to prevent the decomposition or deterioration of the compound caused by excessive temperature. Just like many materials mentioned in "Tiangong Kaiwu" need to be properly stored, so is this compound, and a suitable environment can maintain its quality.
Second, when transporting, ensure that the packaging is sturdy and reliable, and can effectively prevent collisions and leaks. Once a leak occurs, it will not only cause damage to the compound, but also cause pollution to the surrounding environment, and even threaten the safety of personnel. This is like transporting various items in "Tiangong Kaiwu" to ensure that they are intact, and the transportation of this compound also needs such comprehensive protection.
Third, it is necessary to strictly follow the relevant hazardous chemical management regulations for operation. Because it may have certain potential hazards such as toxicity and corrosion, whether it is storage or transportation, the operator must have professional knowledge and take personal protective measures, such as wearing protective gloves, masks, goggles, etc. This is consistent with the requirement for craftsmen to have professional skills in special process operations in "Tiangong Kaiwu", and professionals are also required to handle such compounds in accordance with regulations to ensure safe storage and transportation.