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What is the chemical structure of N-Boc-2, 5-dihydro-3-ethynyl-1H-pyrrole?
Alas! The chemical structure of this N-Boc-2,5-dihydro-3-ethynyl-1H-pyrrole needs to be analyzed in detail. First, this compound contains a pyrrole ring. This five-membered nitrogen-containing heterocycle is a common structural unit in organic chemistry and has unique electronic properties and reactivity.
At the 2,5 position of the pyrrole ring, it is in a dihydrogen state, that is, the carbon-carbon double bond of this two position is reduced to a saturated carbon-carbon single bond. This structural change affects the conjugate system of the molecule, which in turn changes its physical and chemical properties.
Furthermore, there is an ethynyl group attached to the third position. This alkynyl group is a strong electron-absorbing group, which gives the molecule a unique electron cloud distribution and has high reactivity. It can participate in many organic reactions, such as nucleophilic addition, metal-catalyzed coupling reactions, etc.
And N-Boc, that is, tert-butoxycarbonyl, this group is attached to the pyrrole nitrogen atom. Its role is crucial. First, it can protect the activity of nitrogen atoms and prevent them from overreacting under specific reaction conditions. Second, it can affect the spatial structure and solubility of molecules. Tert-butoxycarbonyl has a large steric resistance, which can change the stereochemical environment of molecules and have a significant impact on intermolecular interactions and reaction selectivity.
In summary, the chemical structure of N-Boc-2,5-dihydro-3-ethynyl-1H-pyrrole is cleverly combined with pyrrole ring, dihydro structure, ethynyl group and N-Boc protecting group. The interaction of each part endows this compound with unique chemical properties and reactivity.
What are the main synthesis methods of N-Boc-2, 5-dihydro-3-ethynyl-1H-pyrrole?
The common methods for the synthesis of N-Boc-2,5-dihydro-3-ethynyl-1H-pyrrole are as follows.
One is the reaction of alkynes with pyrrole-containing precursors. Appropriate pyrrole derivatives are used as starting materials to react with acetylene-related reagents under specific reaction conditions. In this process, the reaction conditions, such as temperature, catalyst type and dosage, need to be carefully regulated. If the temperature is too high, side reactions may occur, affecting the purity and yield of the product; improper dosage of catalyst will also affect the reaction rate or selectivity.
The second is to construct a pyrrole ring and introduce ethynyl and Boc protective groups. Suitable nitrogen and carbon-containing raw materials can be selected to construct a pyrrole ring structure through multi-step reaction. After constructing a pyrrole ring, ethynyl is introduced in a timely manner, and then the nitrogen atom is protected by Boc reagent. There are many steps in this path, and the purity and yield of each step of the reaction have an important impact on the final product. Precise separation and identification of the products at each step is required to ensure that the reaction proceeds in the expected direction.
The third is a reaction strategy using transition metal catalysis. Transition metal catalysts can effectively promote related reaction processes and improve reaction efficiency and selectivity. For example, palladium-catalyzed reactions can cause reactions such as coupling between substrates to achieve the construction of target molecules. However, transition metal catalysts are expensive, and proper separation is required during post-reaction treatment to avoid residues affecting the quality of the product.
All synthesis methods have advantages and disadvantages. Experimenters need to carefully choose the appropriate synthesis path according to actual needs, raw material availability, cost considerations and many other factors to achieve the desired synthesis effect.
What are the physical properties of N-Boc-2, 5-dihydro-3-ethynyl-1H-pyrrole?
N-Boc-2,5-dihydro-3-ethynyl-1H-pyrrole is an organic compound whose physical properties are very important. The appearance of this compound is often solid. Due to the connection and interaction of various atoms in the molecular structure, this state exists at room temperature and pressure.
When it comes to the melting point, the melting point of this substance is affected by intermolecular forces. There are Boc protecting groups, ethynyl groups and pyrrole rings in the molecule. The interaction between these structural units makes the melting point in a specific range. It is difficult to determine the specific value without accurate experimental data.
In terms of solubility, according to the principle of similarity dissolution, the compound has good solubility in polar organic solvents such as dichloromethane, N, N-dimethylformamide (DMF) due to its certain hydrophobic part. Methylene dichloride has moderate polarity and good solubility, and can form intermolecular forces with the molecules of the compound to help it disperse and dissolve. The strong polarity of DMF can interact with the polar groups in the compound to improve solubility. However, the solubility in water is poor. Due to the large difference between the polarity of water molecules and the polarity of the compound, it is difficult to form effective interactions between molecules.
Its density is also an important physical property, and the density is determined by the molecular weight and the way of molecular accumulation. The compound has a complex molecular structure and a specific type and number of atoms. Under the combined influence of these factors, the density will have corresponding values, but it also needs to be accurately determined by experiments.
In addition, the compound has certain stability, and the Boc protecting group can protect the pyrrole ring nitrogen atom and enhance the molecular stability. However, the acetylene group in the molecule is reactive and may react under specific conditions. Although this is related to chemical properties, it is related to physical properties, such as reactivity or affecting its aggregation state and stability.
What are the applications of N-Boc-2, 5-dihydro-3-ethynyl-1H-pyrrole?
N-Boc-2,5-dihydro-3-ethynyl-1H-pyrrole is widely used in the field of organic synthesis. It plays a significant role in the construction of heterocyclic compounds. It can interact with many reagents through specific reaction pathways to build complex and diverse pyrrole-like heterocyclic structures. Such heterocyclic rings are often key active fragments in the field of pharmaceutical research and development.
In the field of pharmaceutical chemistry, using it as a starting material, through multiple steps of delicate reactions, compounds with specific pharmacological activities can be prepared. Or acting on specific targets to regulate physiological processes in organisms, it is expected to become a lead compound for new drugs, providing the possibility to overcome difficult diseases.
In the field of materials science, it also shows potential. After rational design and modification, it can participate in the preparation of materials with special optoelectronic properties. Such materials can be used in organic Light Emitting Diodes, solar cells and other devices, giving materials unique electron transport and optical properties, improving the performance and efficiency of devices.
In the field of total synthesis of natural products, due to the particularity of its structure, it is often used as a key intermediate. Helping chemists to simulate the structure of natural products and realize the total synthesis of natural products with important biological activities helps to further study the biological activity and mechanism of action of natural products, and also lays the foundation for the development of new drugs and biological products.
What is the market price of N-Boc-2, 5-dihydro-3-ethynyl-1H-pyrrole?
The market price of this N-Boc-2,5-dihydro-3-ethynyl-1H-pyrrole product is difficult to determine. The price often changes for various reasons, such as the difficulty of making it, the amount of demand, the quality of the quality, and the market situation.
Those who are difficult to make, the price will be high. If the system requires rare materials, or complicated methods are used, the labor cost will be huge, and the price will also rise. If there are many people who want it, and the supply is limited, the price will also rise. The demand of the market is prosperous, and the merchants compete for goods, and the price will rise. Those who are pure in quality will always be higher than those who are miscellaneous. The buyer is of high quality and is willing to pay a high price for pure products. And the market situation is also an important factor. The time is different, the place is different, and the price is different.
However, if you want to know the exact price, you should consult the merchants of chemical materials, or look at the trading platforms. Merchants are familiar with the market and can tell the real-time price. The trading platform also has past prices to test, which can help analyze the change of its price. If you want, the market price of Ximing N-Boc-2,5-dihydro-3-ethynyl-1H-pyrrole needs to look at many factors and consider the sources in detail before you can get a more accurate number.