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What is the chemical structure of 1-tert-Butyl 2-ethyl (2S) -2, 3-dihydro-1H-pyrrole-1, 2-dicarboxylate?
This is a question about the naming of organic compounds. The chemical structure analysis is as follows:
"1-tert-Butyl + 2-ethyl + (2S) -2,3-dihydro-1H-pyrrole-1,2-dicarboxylate", and its structure is deduced from the naming rules. "1-tert-Butyl", it can be seen that there is a tert-butyl at position 1 of the main structure, and the tert-butyl structure is -C (CH 🥰). "2-ethyl" indicates that there is an ethyl group at position 2, and the ethyl group is -CH 🥰 CH 🥰.
" (2S) - 2,3 - dihydro - 1H - pyrrole - 1,2 - dicarboxylate", where "2,3 - dihydro - 1H - pyrrole" is a dihydropyrrole ring structure, which is a five-membered nitrogen-containing heterocycle with nitrogen atoms at position 1. "1,2 - dicarboxylate" means that both positions 1 and 2 are connected with carboxylic acid ester groups. And " (2S) " means that the carbon atom configuration at position 2 is S-type.
Overall, the compound is composed of a dihydropyrrole ring as the core, with a tert-butyl carboxylic acid ester group at position 1, an ethyl group at position 2 and an S configuration at position 2, and a carboxylic acid ester group at position 2. Its chemical structure presents a specific space and connection mode, which determines the unique physical and chemical properties of the compound.
What are the main uses of 1-tert-Butyl 2-ethyl (2S) -2, 3-dihydro-1H-pyrrole-1, 2-dicarboxylate?
1-tert-butyl-2-ethyl (2S) -2,3-dihydro-1H-pyrrole-1,2-dicarboxylate has a wide range of uses and is often used as a key intermediate in the field of organic synthesis. In the process of organic synthesis, it can add specific functional groups through chemical reactions, and then build complex organic molecules. Just like when constructing natural products or biologically active compounds containing pyrrole rings, this substance can use its unique molecular structure to pave the way for the synthesis of the target product through ingenious reaction steps.
Furthermore, it also has important functions in the field of medicinal chemistry. During drug development, pyrrole rings may be common in many active pharmaceutical ingredients, and as a starting material or key intermediate, they can help create new drugs. By modifying and derivatizing its structure, potential drug molecules with specific pharmacological activities, good targeting and few side effects can be obtained.
Not only that, but also has potential uses in the field of materials science. After appropriate chemical modification and polymerization, polymer materials with special properties, such as materials with specific photoelectric properties or mechanical properties, can be prepared to meet the needs of different fields for special materials. From this perspective, 1-tert-butyl-2-ethyl (2S) -2,3-dihydro-1H-pyrrole-1,2-dicarboxylate plays an important role in many fields such as organic synthesis, medicinal chemistry and materials science, and provides an important material basis for many research and applications.
What is the synthesis method of 1-tert-Butyl 2-ethyl (2S) -2, 3-dihydro-1H-pyrrole-1, 2-dicarboxylate?
To prepare 1-tert-butyl-2-ethyl (2S) -2,3-dihydro-1H-pyrrole-1,2-dicarboxylate, the following method can be used.
Start with suitable pyrrole derivatives as raw materials. First take a pyrrole with a specific substituent, which can be later converted into a partial structure of the target ester group. Protect a specific position on the pyrrole ring with an appropriate protective group strategy to prevent unnecessary side reactions in the reaction.
Select suitable halogenated alkanes, such as halogenated hydrocarbons containing tert-butyl or ethyl structures, and undergo nucleophilic substitution with protected pyrrole derivatives in the presence of bases. The strength and dosage of bases need to be carefully controlled so that the reaction can proceed smoothly without causing overreaction.
After the alkyl group is introduced, the esterylation step is carried out. With the corresponding acid anhydride or acid chloride, it reacts with the pyrrole derivative at a suitable check point under the action of the catalyst to form an ester group. Among them, the type of catalyst and the reaction temperature have a great influence on the reaction rate and selectivity, and need to be carefully optimized. In the
reaction process, each step needs to be monitored by appropriate analytical means, such as thin-layer chromatography, nuclear magnetic resonance, etc. If the product is impure, it needs to be purified by column chromatography, recrystallization and other purification methods.
The reaction conditions of each step need to be strictly controlled. The ratio of reactants, reaction time, temperature, solvent and other factors have a significant impact on the yield and purity of the product. In this way, through multi-step reaction and fine operation, it is expected to obtain high-purity 1-tert-butyl-2-ethyl (2S) -2,3-dihydro-1H-pyrrole-1,2-dicarboxylate.
What are the physicochemical properties of 1-tert-Butyl 2-ethyl (2S) -2, 3-dihydro-1H-pyrrole-1, 2-dicarboxylate?
1-tert-butyl-2-ethyl (2S) -2,3-dihydro-1H-pyrrole-1,2-dicarboxylate, this is an organic compound. Its physical and chemical properties are quite critical, and it is of great significance in the fields of organic synthesis.
Let's talk about the physical properties first. This substance may be in a liquid state at room temperature, and has a certain intermolecular force due to the molecular structure containing a certain carbon chain and heterocyclic structure. Its boiling point may be affected by the length of the carbon chain and the branch chain, within a certain range. The presence of tert-butyl and ethyl groups makes the molecule hydrophobic to a certain extent, and its solubility in water may be limited. It is more soluble in common organic solvents, such as ether, chloroform, etc. This is due to the principle of "similar miscibility". Its molecular structure has similar non-polar parts to that of organic solvents.
Let's talk about chemical properties. The ester groups in the molecule are extremely active and can undergo hydrolysis reactions. Under acidic conditions, hydrolysis generates corresponding carboxylic acids and alcohols; under alkaline conditions, hydrolysis is more thorough, generating carboxylic salts and alcohols. The hydrogen atom on the pyrrole ring is acidic due to the conjugation system of the ring, and can react with strong bases. At the same time, this compound contains a chiral center (2S), which may exhibit unique reactivity and selectivity in the field of chiral synthesis and asymmetric catalysis. Its unsaturated pyrrole ring can participate in addition reactions, such as electrophilic addition with electrophilic reagents, enriching its chemical transformation pathway.
What is the price range of 1-tert-Butyl 2-ethyl (2S) -2, 3-dihydro-1H-pyrrole-1, 2-dicarboxylate in the market?
Today I have a question, what is the price of 1-tert-butyl-2-ethyl (2S) -2,3-dihydro-1H-pyrrole-1,2-dicarboxylate in the market? This is a fine chemical, and its price varies depending on quality, purity, supplier and purchase quantity.
If you want low purity, it is about tens of yuan per gram. Such purity may be suitable for basic research and preliminary tests. However, in high-end pharmaceutical research and development and specific fine chemical production, high-purity products are required. For high purity, the price may be hundreds of yuan per gram, or even higher.
If the purchase quantity is huge, the supplier often gives discounts. Buy in bulk, and the price per gram may drop significantly. To know the exact price, consult chemical product suppliers, such as Sigma-Aldrich, Alfa Aesar, etc. The quotations of various companies may vary, and the current price also fluctuates with market conditions. Therefore, when inquiring, it is advisable to specify the required quality and purchase quantity before quoting accurately.