1-tert-butyl 2-methyl 2H-pyrrole-1,2(5H)-dicarboxylate (Boc-3,4-dehydro-L-proline methyl ester)

1-tert-butyl-2-methyl-2H-pyrrole-1,2 (5H) -dicarboxylate (Boc-3,4-dehydrogenated-L-proline methyl ester), the physical properties of this substance are as follows:
Its appearance is often white to white solid. In terms of melting point, it is mostly in a specific temperature range, and the exact value often varies according to experimental conditions and measurement methods, but the approximate range can be used for reference. This is an important indicator for judging its purity and characteristics.
Solubility is also a key physical property. In organic solvents, such as common methanol, ethanol, dichloromethane, etc., it has certain solubility. In methanol, under moderate temperature and stirring conditions, it can dissolve to form a uniform solution, which is conducive to its participation in various chemical transformations as a reactant or intermediate in organic synthesis reactions. In water, due to the large proportion of hydrophobic groups in its structure, its solubility is poor, only slightly soluble or almost insoluble.
Density is also a parameter characterizing its physical properties. Although the exact density value needs to be determined by precise experiments, its relative density is compared with common organic compounds. Due to the relationship between molecular structure and the type and quantity of constituent atoms, it presents a specific range, which is related to its phase distribution and separation operation in the mixed system.
In addition, the stability of the substance is also a consideration of physical properties. In normal temperature, pressure and dry environment, its chemical structure is relatively stable and can be stored for a certain period of time without significant decomposition or deterioration. However, exposure to high temperature, high humidity or specific chemical environments may cause structural changes that affect its physical properties and chemical activities.

The preparation of 1-tert-butyl-2-methyl-2H-pyrrole-1,2 (5H) -dicarboxylate (Boc-3,4-dehydrogenated-L-proline methyl ester) is a delicate organic synthesis technique. The following route is often followed.
Starting material, one can choose a suitable functional group, such as a specific pyrrole derivative. In the first step, it is often necessary to modify the specific position of the pyrrole ring to introduce the desired substituent. For this compound, it is necessary to precisely connect tert-butyl at 1 position of the pyrrole ring and methyl at 2 positions. Such introduction process, or by means of nucleophilic substitution reaction. In a suitable reaction solvent, such as anhydrous tetrahydrofuran or dichloromethane, the corresponding halogenated tert-butane and pyrrole derivatives containing active check points are added, supplemented by alkalis, such as potassium carbonate or triethylamine, to promote the nucleophilic substitution reaction, so that the tert-butyl group is successfully connected to the pyrrole ring 1 position.
As for the introduction of the 2-position methyl group, a similar nucleophilic substitution strategy can be adopted, using halogenated methane as the methyl source and achieving under similar reaction conditions.
Then, the dicarboxylate structure is to be constructed. The carboxyl ester group is introduced at the 1,2 (5H) position of the pyrrole ring, and this process can be achieved by the esterification reaction of carboxylic acid and alcohol catalyzed by acid. The carboxyl group-containing pyrrole derivative is first prepared, and then heated with methanol in the presence of concentrated sulfuric acid or p-toluenesulfonic acid. The carboxyl group is esterified with methanol to form a 2-methyl-2H-pyrrole-1,2 (5H) -dicarboxylic acid methyl ester structure.
The tert-butyl carboxyl ester of the 1st position may be formed under mild reaction conditions by combining tert-butyl-2-methyl-2H-pyrrole-1,2 (5H) -dicarboxylate with tert-butyl alcohol and suitable condensation agents such as dicyclohexyl carbodiimide (DCC) and catalyst 4-dimethylaminopyridine (DMAP), namely the target product Boc-3,4-dehydrogenation-L-proline methyl ester. Throughout the synthesis process, it is necessary to pay attention to the precise control of reaction conditions, such as temperature, reaction time, and the proportion of reactants, etc., to ensure the high efficiency and selectivity of each step of the reaction, resulting in a pure target product.

1-tert-butyl-2-methyl-2H-pyrrole-1,2 (5H) -dicarboxylate (i.e. Boc-3,4-dehydrogenated-L-proline methyl ester) is often used as a key raw material or intermediate in various reactions in organic synthesis.
It is widely relied on in many cyclization reactions. This compound contains a unique pyrrole ring structure and active functional groups, which can participate in the construction of complex cyclic systems under appropriate reaction conditions. For example, in the intramolecular cyclization reaction, by ingeniously designing the reaction path, it can go through the steps of nucleophilic substitution and elimination in the molecule to form a multi-component cyclic compound containing pyrrole ring, which is widely used in the field of total synthesis of alkaloids.
In asymmetric synthesis reactions, Boc-3,4-dehydrogenation-L-proline methyl ester also plays an important role. Because its structure has a chiral center, it can be used as a starting material to synthesize chiral compounds with specific configurations through chiral induction. For example, in the process of asymmetric Mannich reaction, Michael addition reaction, etc., by virtue of its chiral environment, it can achieve effective control of the stereochemistry of the product and obtain the target product with high optical purity, which is of great significance in the field of medicinal chemistry, and many chiral drug synthesis often rely on this.
In addition, in the field of peptide synthesis, this compound, as a proline derivative, can introduce special structures into the polypeptide chain to change the spatial conformation and physicochemical properties of the polypeptide. For example, when designing polypeptide analogs with specific biological activities, replacing the ordinary proline unit with it may endow the polypeptide with new activities and functions.

The market price of 1-tert-butyl-2-methyl-2H-pyrrole-1,2 (5H) -dicarboxylate (Boc-3,4-dehydrogenated-L-proline methyl ester) is difficult to tell with certainty. The market price of these chemicals often fluctuates due to many factors.
First, the cost of raw materials is crucial. If the starting materials required to synthesize this compound are scarce or expensive to obtain, the price of this compound will rise. Second, the ease of preparation process also affects. If the synthesis process requires complicated steps, harsh reaction conditions, or special catalysts and reagents, it will increase the production cost, which in turn affects the market price.
Furthermore, the market supply and demand relationship also affects its price. If many industries have strong demand for it and limited supply, the price will rise; on the contrary, if the demand is low and the supply is excessive, the price may fall. In addition, the pricing of different manufacturers will also vary due to differences in cost control and production scale.
It is difficult to quote the exact price without detailed investigation of specific market data. If you want to know the exact market price, you can consult chemical product suppliers, browse professional chemical product trading platforms, or consult senior personnel in the chemical industry to obtain more accurate market price information.

1-tert-butyl-2-methyl-2H-pyrrole-1,2 (5H) -dicarboxylate (ie Boc-3,4-dehydrogenated-L-proline methyl ester), which is widely used. In the field of pharmaceutical research and development, it can be used as a key intermediate to help build active compounds with complex structures. With its unique pyrrole structure, it can precisely combine with biological targets, providing new paths for the development of antimalarial and anticancer drugs in the process of new drug creation.
In the field of organic synthesis, it is a special building block and participates in the synthesis of a variety of complex natural products and functional materials. By virtue of the ester group and tert-butoxycarbonyl, through various organic reactions, such as nucleophilic substitution, addition, etc., the molecular structure is expanded and the variety of organic compounds is enriched.
Furthermore, in the field of chemical materials, it may be able to prepare polymer materials with special properties through reactions such as polymerization. For example, the introduction of specific functional groups endows materials with unique optical and electrical properties, and plays a role in the preparation of optoelectronic devices, sensors and other materials, promoting innovation and development in the field of chemical materials.