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What is the chemical structure of 1-methyl-2- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) -1H-pyrrolo [2,3-b] pyridine?
This is the problem of the chemical structure of organic compounds. 1 - methyl - 2 - (4,4,5,5 - tetramethyl - 1,3,2 - dioxaborolan - 2 - yl) -1H - pyrrolo [2,3 - b] pyridine, according to its name, its structure can be analyzed step by step.
"1 - methyl", indicating that there is a methyl group connected at a specific position. "2 - (4,4,5,5 - tetramethyl - 1,3,2 - dioxaborolan - 2 - yl) ", shown in the second position with 4,4,5,5 - tetramethyl - 1,3,2 - dioxaborolan - 1, 3,2 - dioxaborolane - 2 - group structural fragment. In this fragment, the boron atom and two oxygen atoms form a dioxboron heterocyclopentane ring, and the rings are connected to a methyl group at positions 4, 4, 5, and 5.
"1H-pyrrolo [2,3-b] pyridine", this is the pyrrolido [2,3-b] pyridine parent nucleus. The pyrrole ring fuses with the pyridine ring and follows specific fusing rules to form this parent nucleus structure.
In summary, the compound uses pyrrolido [2,3-b] pyridine as the parent nucleus, and the first position is connected with methyl, and the second position is connected with 4,4,5,5-tetramethyl-1,3,2-dioxyboron heterocyclopentane-2-yl, which is the approximate chemical structure of the compound. Its structure design is exquisite, and all parts are connected to each other, which endows the compound with specific chemical properties and potential applications.
What are the main uses of 1-methyl-2- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) -1H-pyrrolo [2,3-b] pyridine?
1 - methyl - 2 - (4,4,5,5 - tetramethyl - 1,3,2 - dioxaborolan - 2 - yl) -1H - pyrrolo [2,3 - b] pyridine is an organic compound with important uses in the field of organic synthesis. The main uses of this compound are probably as follows:
First, it is a key intermediate for the construction of complex nitrogen heterocyclic compounds. With its unique structure, it can be combined with many halogenated aromatics or olefins through boron-related chemical reactions, such as Suzuki-Miyaura coupling reaction, to achieve efficient construction of carbon-carbon bonds and facilitate the synthesis of nitrogen-containing fused ring compounds with diverse structures. This is of great significance in the field of medicinal chemistry, because the core structure of many biologically active drug molecules is a nitrogen heterocycle.
Second, it is also involved in the field of materials science. Because of its specific electronic properties and structure, it can be used to prepare functional organic materials. After appropriate reaction modification, it can impart specific photoelectric properties to the material, such as for the synthesis of organic Light Emitting Diode (OLED) materials to improve their luminous efficiency and stability, or for the preparation of organic semiconductor materials to improve their carrier transport properties.
Third, in the field of total synthesis of natural products, this compound can be used to simulate the synthesis of specific nitrogen heterocyclic fragments in natural products. Natural products often have complex structures and significant biological activities. By using this compound as a starting material or intermediate, the total synthesis of natural products can be completed more efficiently and accurately, and the biological activity and mechanism of natural products can be further studied.
Fourth, in chemical methodological studies, 1-methyl-2- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) -1H-pyrrolo [2,3-b] pyridine is often used as a model substrate to explore new reaction pathways and reaction conditions. Chemists can develop greener, more efficient, and more selective organic synthesis methods by studying the reactions they participate in, thus promoting the development of organic chemistry.
What is the synthesis method of 1-methyl-2- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) -1H-pyrrolo [2,3-b] pyridine?
To prepare 1-methyl-2 - (4,4,5,5-tetramethyl-1,3,2-dioxoboroborocyclopentane-2-yl) -1H-pyrrolido [2,3-b] pyridine, the following ancient method can be used.
First take 1-methyl-1H-pyrrolido [2,3-b] pyridine as the base material, which is the starting material of the reaction. Place it in a suitable reaction vessel, which needs to be clean and dry to prevent impurities from disturbing it. < Br >
Then, boron-containing reagents are introduced, such as 4,4,5,5-tetramethyl-1,3,2-dioxyboronheterocyclopentane-related active reagents. In this process, precise temperature control is required to adapt to the needs of the reaction. If the temperature is too high, it may cause side reactions; if the temperature is too low, the reaction will be slow and the efficiency will be low. Generally speaking, the temperature control is within a certain moderate range, which can be achieved by water bath or oil bath method.
In addition, an appropriate amount of catalyst is added. The catalyst is crucial in the reaction and can greatly increase the reaction rate. Common palladium-based catalysts are widely used in such reactions, which can effectively reduce the activation energy of the reaction and make the reaction more likely to occur. And the amount of catalyst also needs to be carefully weighed, too much will increase the cost, and too little will have poor catalytic effect.
When reacting, it is necessary to continuously stir to make the reactants fully contact to ensure that the reaction proceeds uniformly. This purpose can be achieved by means of magnetic stirring or mechanical stirring.
After the reaction is completed, the product often contains impurities. Therefore, it is necessary to separate and purify the step to obtain a pure 1-methyl-2 - (4,4,5,5-tetramethyl-1,3,2-dioxoboronheterocyclopentane-2-yl) -1H-pyrrolido [2,3-b] pyridine. Extraction, column chromatography and other methods can be selected according to the properties of the product and impurities. During extraction, a suitable extractant is selected to separate the product and impurities due to different solubility; column chromatography achieves the purpose of separation according to the difference in the distribution coefficient of the substance in the stationary phase and the mobile phase.
What are the physicochemical properties of 1-methyl-2- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) -1H-pyrrolo [2,3-b] pyridine?
1 - methyl - 2 - (4,4,5,5 - tetramethyl - 1,3,2 - dioxaborolan - 2 - yl) - 1H - pyrrolo [2,3 - b] pyridine is an organic compound. Its physical and chemical properties are very important, and it is related to the performance of this compound in various chemical reactions and practical applications.
Looking at its physical properties, under normal circumstances, this compound may be a solid, but it also varies depending on specific environmental conditions. Melting point, as a key physical indicator, can reflect the strength of intermolecular forces. If the intermolecular forces are strong, more energy is required to disintegrate the lattice structure, and the melting point is high; otherwise, it is low. As far as the compound is concerned, its melting point may be in a specific temperature range, but the exact value needs to be accurately determined by experiments.
The solubility cannot be ignored either. In organic solvents, such as common ether, dichloromethane, etc., depending on the polar and non-polar parts contained in their molecular structures, they may exhibit certain solubility. The groups such as methyl group and tetramethyl-1,3,2-dioxoboronheterocyclopentane-2-group in the molecule affect their solubility in different solvents. Polar solvents and non-polar solvents have different solubility, which is of great significance in the separation, purification and choice of reaction medium of the compound.
In terms of its chemical properties, the boron heterocyclopentane structure in this compound gives it unique reactivity. Boron atoms have empty orbitals, which are easy to react with nucleophiles, and can participate in many organic synthesis reactions, such as Suzuki coupling reaction. In such reactions, boron groups are coupled with halogenated hydrocarbons or halogenated hydrocarbons under the action of metal catalysts to realize the construction of carbon-carbon bonds, which greatly expands the path of organic synthesis.
At the same time, pyridine and pyrrolido-pyridine structural parts are also reactive. The lone pair electrons of pyridine cyclic nitrogen atoms make it possible to complex with metal ions as a ligand, which affects the activity and selectivity of metal catalysts. The nitrogen atom and unsaturated bond in the structure of pyrrolidine can participate in electrophilic substitution reactions, nucleophilic addition reactions, etc., which add diversity to the application of this compound in the field of organic synthesis.
What is the market price of 1-methyl-2- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) -1H-pyrrolo [2,3-b] pyridine?
Looking at this question, I am inquiring about the price of 1 - methyl - 2 - (4,4,5,5 - tetramethyl - 1,3,2 - dioxaborolan - 2 - yl) - 1H - pyrrolo [2,3 - b] pyridine in the market. However, the price of this product often changes due to many reasons, and it is difficult to determine.
First, the production sources are different, and the price is different. If it is refined by a large factory, the quality is excellent, and the price may be higher; while the small factory produces, although the price is cheaper, the quality may not be as good.
Second, the purchase quantity is also the main reason. If you buy in bulk, merchants often give discounts, and the price is low; if you only buy a little, the price may be high.
Third, the supply and demand of the city also affects its price. If there are many people who want it, but there are few suppliers, the price will rise; on the contrary, if the supply exceeds the demand, the price may drop.
And check the cities. This product is not available everywhere. To find its exact price, you must explore the chemical raw material market in detail and consult all suppliers to get a more accurate number. Therefore, it is not easy to understand its price at this moment, and you must study the market conditions carefully.