tert-butyl2-oxo-4-(tosyloxy)-2,5-dihydro-1H-pyrrole-1-carboxylate

The substance tert - butyl 2 - oxo - 4 - (tosyloxy) -2, 5 - dihydro - 1H - pyrrole - 1 - carboxylate, in the classical Chinese format of "Tiangong Kaiwu" to explain its chemical structure, as follows.
This compound is an organic ester containing heterocycles. Looking at its name, "tert - butyl", that is, tert-butyl, is a hydrocarbon group with a branched chain structure, attached to a tert-carbon atom elsewhere. " 2 - oxo ", which means that there is a carbonyl group at the second position of the pyrrole ring, and the carbonyl group is a functional group connected by the double bond of carbon and oxygen, which has polarity and affects the reactivity and physical properties of the molecule." 4- (tosyloxy) ", the fourth position of the table is connected with p-toluenesulfonyloxy group. The p-toluenesulfonyl group is composed of p-toluenesulfonyl group and sulfonyl group. The sulfur atom in the sulfonyloxy group is double-bonded to two oxygen atoms, and the one oxygen atom is connected to the fourth position of the pyrrole ring. This group is often used as a good leaving group and plays a key role in many reactions." 2,5 - dihydro - 1H - pyrrole ", indicating that it is a dihydropyrrole ring. The pyrrole ring is originally a five-membered nitrogen-containing heterocyclic ring and has aromatic properties. The 2,5 position in the dihydropyrrole ring is obtained by double-bond hydrogenation. The structure change causes its electron cloud distribution and reactivity to be different from that of pyrrole." 1 - carboxylate "shows that the 1 position is connected to a carboxylic acid ester group, which is connected to an oxygen atom by a carbonyl group, and then connected to a tert-butyl group to form this ester structure. Overall, the compound integrates a variety of functional groups in one body, with an exquisite structure. The functional groups interact with each other, giving it unique chemical properties and reactivity. It may have important uses in organic synthesis and other fields.

Tert-butyl 2-oxo-4- (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-carboxylate This compound is widely used in the field of organic synthesis.
First, it is often used as a key intermediate in the construction of heterocyclic compounds. Pyrrole rings are in many natural products and bioactive molecules and occupy a key position. With this compound, specific modification and functionalization of pyrrole rings can be achieved by ingeniously designed reaction steps. For example, in the nucleophilic substitution reaction, the 4-position p-toluenesulfonyloxy group can be replaced by a variety of nucleophiles, and then different functional groups, such as amino groups and alkoxy groups, are introduced, thereby enriching the structure types of pyrrole derivatives and laying the foundation for the creation of compounds with unique activities.
Second, it also has important value in the field of medicinal chemistry. Because its structure can be modified to meet the needs of specific targets. Some drugs containing pyrrole structures can exhibit good pharmacological activities, such as anti-tumor and antibacterial properties. This tert-butyl 2-oxo-4- (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-carboxylate can be used as a starting material, converted into a lead compound with potential medicinal value through multi-step reaction, and then further optimized, it is expected to be developed into a new drug.
Third, in the field of materials science, there may be potential uses. Pyrrole derivatives can exhibit unique photoelectric properties after appropriate modification. The polymer or small molecule materials synthesized from it can be applied to organic Light Emitting Diodes (OLEDs), solar cells and other fields, endowing the materials with unique optical and electrical properties, thereby enhancing the properties of the materials.

The common methods for synthesizing tert-butyl 2-oxo-4- (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-formate generally include the following.
First, the pyrrole ring can be started from a compound containing the pyrrole ring. First, the pyrrole ring is acylated under suitable conditions to introduce the tert-butoxycarbonyl group to protect the pyrrole nitrogen atom. Subsequently, at a specific position of the pyrrole ring, the carbonyl group is constructed by oxidation reaction. Furthermore, p-toluenesulfonyl chloride is used as a reagent, and under the catalysis of a base, the corresponding hydroxyl group on the pyrrole ring undergoes a substitution reaction, and the p-toluenesulfonyloxy group is introduced to obtain the final target product.
Second, the construction of pyrrole ring can also be used as the starting strategy. Using suitable raw materials such as nitrogen, carbonyl and alkenyl groups, the pyrrole ring structure is constructed through cyclization. During or after cyclization, tert-butoxy carbonyl, carbonyl and p-toluenesulfonyloxy are introduced in sequence. This process requires precise control of reaction conditions, such as temperature, pH, reaction time, etc., so that each step of the reaction can proceed as expected and avoid side reactions.
Third, we can consider starting from simple raw materials and gradually building the target molecule through multi-step reaction. First synthesize intermediates containing part of the structure fragments, and then splice the fragments through condensation, substitution and other reactions. For example, first prepare intermediates containing tert-butoxycarbonyl and part of the pyrrole ring structure, and then react with carbonyl and p-toluenesulfonyloxy precursors to finally realize the synthesis of tert-butyl 2-oxo-4- (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-formate. However, this pathway is complicated, and the reaction route needs to be carefully planned to ensure the yield and selectivity of each step.

Tert-butyl 2-oxo-4- (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-carboxylic acid ester This substance has various physical properties. It is an organic compound, usually in a solid state at room temperature, and may be a white to off-white crystalline powder with a fine texture.
Melting point is one of the important physical properties of substances. However, the melting point of tert-butyl 2-oxo-4- (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-carboxylate has not been published. It is speculated that due to the molecular structure containing tert-butyl, ester group, pyrrole ring and p-toluenesulfonyloxy group, etc., the intermolecular force is complicated, and the melting point or specific interval needs to be accurately determined by experiments.
In terms of solubility, its molecular structure contains hydrophobic tert-butyl, benzene ring and hydrophilic ester group, pyrrole ring nitrogen atoms, which exhibit different solubility characteristics in organic solvents. Generally speaking, it is soluble in common organic solvents, such as dichloromethane, chloroform, tetrahydrofuran, etc. Due to the interaction between these solvents and compound molecules, such as van der Waals forces and hydrogen bonds, they can effectively disperse and dissolve solutes. However, the solubility in water is poor, due to the dominance of hydrophobic groups, the interaction with water molecules is weak, and it is difficult to dissolve into the water phase with strong polarity.
The density is related to the unit volume mass of the substance, and the density of tert-butyl 2-oxo-4- (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-carboxylate is rarely clearly reported. However, according to its molecular structure and constituent atoms, it can be known that the molecular weight is relatively large, the structure is compact, and the density or density is higher than that of common organic solvents. The specific values need to be determined by experiments.
The physical properties of tert-butyl 2-oxo-4 - (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-carboxylate are of great significance for its synthesis, separation, purification and application. For example, the appropriate solvent is selected according to solubility for reaction and recrystallization purification; the purity of the product can be tested by melting point measurement, etc. However, many properties need more experimental investigation and confirmation to accurately grasp their physical properties.

Tert-butyl 2-oxo-4- (p-toluenesulfonyloxy) -2,5-dihydro-1H-pyrrole-1-carboxylate This compound requires many matters to be paid attention to during storage and transportation.
Bear the brunt, and temperature control is crucial. This compound is quite sensitive to temperature, and high temperature can easily cause it to decompose and deteriorate. Therefore, the storage temperature should be maintained in a cool place, generally 2-8 ° C, so as to ensure the stability of its chemical properties. During transportation, effective temperature control measures should also be taken to prevent temperature fluctuations from damaging its quality.
Furthermore, the influence of humidity should not be underestimated. Humid environments can easily make the substance absorb moisture, which in turn triggers a series of chemical reactions that affect its purity and performance. Therefore, the storage place must be kept dry, and the ambient humidity can be reduced by means of desiccants. During transportation, it is also necessary to ensure that the packaging is tight to prevent the intrusion of external moisture.
In terms of packaging, it must be strong and well sealed. Due to the characteristics of its chemical structure, reactions may occur in contact with external substances. Therefore, suitable packaging materials, such as glass bottles or specific plastic containers, should be used and sealed to prevent leakage and interference from external substances.
In addition, light may also have an effect on it. Prolonged exposure to light or strong light, or cause photochemical reactions to occur, affecting quality. When storing and transporting, try to avoid light, and can be stored in a dark place or using light-shielding packaging materials.
At the same time, this compound may be dangerous, and storage and transportation must strictly follow relevant safety regulations and operating procedures. Operators also need to take protective measures, such as wearing appropriate protective gloves, goggles, etc., to ensure their own safety.