(2S)-1-(tert-butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid diethylammonium salt

((2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid diethylammonium salt) The chemical structure of this compound is as follows:
Its core structure is 2,5-dihydro-1H-pyrrole ring, which is connected with a carboxyl group at the 2 position of the pyrrole ring. This carboxyl group forms a salt with diethylammonium, that is, the hydrogen in the carboxyl group is replaced by diethylammonium cation to form an ionic bond-linked structure. In this group, the carbonyl group is connected to the nitrogen atom at the first position of the pyrrole ring, and the other side of the carbonyl group is connected to the tert-butyl group through the oxygen atom. In the whole structure, the pyrrole ring is a five-membered unsaturated heterocyclic ring, which has a certain conjugate system, which endows the compound with specific chemical properties. The tert-butoxycarbonyl group is relatively large and has a certain steric resistance protection effect on the nitrogen atom at the first position of the pyrrole ring. At the same time, the diethylammonium salt part makes the compound have good solubility and other physical properties under specific conditions. The overall structure determines that the compound has unique reactivity and application in organic synthesis and other fields.

(2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid diethylammonium salt has a wide range of uses in the field of organic synthesis. It is often a key intermediate for the preparation of specific nitrogen-containing heterocyclic compounds. Due to its unique structure, it contains chiral centers and modifiable functional groups, and can be derived through various chemical reactions. Many products with biological activities or special properties can be derived.
In the process of pharmaceutical research and development, this compound can be used as a building block for lead compounds. By modifying its surrounding groups, the physicochemical properties, biological activities and pharmacological properties of the molecule can be adjusted to find drugs with better efficacy and safety. For example, by modifying its pyrrole ring or tert-butoxycarbonyl, the affinity between the drug and the target can be optimized, or the pharmacokinetic properties of the drug can be improved.
In the field of materials science, (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylate diethylammonium salt can participate in the synthesis of polymer materials. By means of its functional group polymerization with other monomers, or by imparting special optical, electrical or mechanical properties to the material. Such as synthesizing polymers with special fluorescence properties, it can be used in sensing, imaging and other fields.
Furthermore, this compound may be an important synthesizer in the total synthesis of natural products. Because of its chiral structure, it can be used as a chiral inducer to help achieve the precise construction of specific chiral centers of complex natural products, thus completing challenging total synthesis of natural products, laying the foundation for in-depth research on the biological activity and mechanism of action of natural products.

To prepare (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid diethylammonium salt, the following ancient method can be followed.
First, (2S) -2,5-dihydro-1H-pyrrole-2-carboxylic acid is the starting material, which is the key starting material. In a suitable reactor, add an appropriate amount of tert-butoxycarbonylation reagent, such as tert-butyl dicarbonate. This tert-butyl dicarbonate can be released from the reaction system and acylated with the amino group of (2S) -2,5-dihydro-1H-pyrrole-2-carboxylic acid. In order to promote this reaction smoothly, it is often necessary to add a suitable base, such as triethylamine. Triethylamine can neutralize the acid generated by the reaction and advance the reaction in a positive direction. The temperature is controlled in a moderate range, such as between low temperature and room temperature, depending on the reaction process, it may need to be stirred for several hours until the reaction reaches the desired level. After this step, (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid can be obtained.
Then, the obtained (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid is dissolved in a suitable solvent, such as dichloromethane or tetrahydrofuran. In this solution, diethylamine is slowly added dropwise. Diethylamine reacts with the carboxyl group of (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid to form a salt. This reaction also needs to pay attention to temperature control and moderate stirring to make the reaction uniform. After the reaction is completed, the impurities can be removed by conventional separation and purification methods, such as extraction, column chromatography, etc., to obtain pure (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid diethylammonium salt. In this way, the target product can be obtained.

(This compound is (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid diethylammonium salt. Its physical properties are as follows:)
From the perspective of this salt, it is mostly white to off-white solid under normal conditions, which is a sign of its appearance. In terms of solubility, it has good solubility in common organic solvents such as methanol and ethanol. Because the polar groups contained in the molecular structure can form hydrogen bonds or other weak interactions with organic solvent molecules, it is soluble. In the aqueous phase, it also has a certain solubility, but it is slightly inferior to organic solvents.
When it comes to the melting point, it is experimentally determined to be in a specific temperature range. The value of the melting point is closely related to the intermolecular forces. There are structural units such as tert-butoxycarbonyl, carboxyl and diethylammonium ions in the molecule, and forces such as hydrogen bonds and ionic bonds are formed between the molecules, so that the lattice has a certain stability, and a specific energy is required to destroy the lattice and cause it to melt. In the case of
boiling point, the exact boiling point of the compound is difficult to determine because it has decomposed before reaching the boiling point. However, it can be inferred from the molecular structure and the properties of related similar compounds that its boiling point may be higher. Due to the strong intermolecular forces, more energy is required to make the molecule break free from the liquid phase and become the gas phase. < Br >
In terms of density, although there is no precise value to report, based on the type, quantity and arrangement of atoms in its structure, it can be roughly inferred that its density is similar to that of common organic compounds. Atoms such as carbon, hydrogen, oxygen, and nitrogen in the molecule constitute a specific spatial structure, and the distance and mass distribution between atoms determine their density characteristics.
(The above is the description of the main physical properties of (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylate diethylammonium salt.)

I don't know the market price of (2S) -1- (tert-butoxycarbonyl) -2,5-dihydro-1H-pyrrole-2-carboxylic acid diethylammonium salt. This is a specific compound in the field of chemistry, and its price often varies due to many factors.
First, the purity has a great impact. If the purity is extremely high and almost flawless, it will be expensive for high-end scientific research experiments; if the purity is slightly lower, it is suitable for general industrial use, and the price may be relatively easy.
Second, the market supply and demand situation is also critical. If the demand is strong and the supply is scarce, like the rain in a dry time, the price will rise; if the supply exceeds the demand, it is like a pond full of water, and the price may fall.
Third, the difficulty of preparation is related. If the preparation requires complicated processes, precious raw materials or special conditions, the cost increases and the price is also high; if the preparation is relatively simple and the cost is reduced, the price will also follow.
Fourth, different suppliers have different pricing strategies. There may be those who win credit with high quality and high price, or those who use small profits but quick turnover as a strategy.
If you want to know the exact market price, you can get an accurate number by carefully checking the chemical product trading platform, consulting chemical reagent suppliers, or referring to industry reports.