1h Pyrrole 1 Carboxylic Acid 4 Cyano 2 5 Dihydro 3 Hydroxy 2 2 Dimethyl Tert Butyl Ester
pyridine pyrrole pyrazine piperidine piperazine

1H-Pyrrole-1-carboxylic acid, 4-cyano-2,5-dihydro-3-hydroxy-2,2-dimethyl-, tert-butyl ester

    Specifications

    HS Code

    350295

    Name 1H-Pyrrole-1-carboxylic acid, 4-cyano-2,5-dihydro-3-hydroxy-2,2-dimethyl-, tert-butyl ester
    Molecular Formula C12H18N2O3
    Molecular Weight 238.28
    Appearance Solid (predicted)
    Boiling Point Predicted around 356.7°C at 760 mmHg
    Melting Point No common experimental data, predicted range might exist
    Density Predicted around 1.12 g/cm³
    Water Solubility Low solubility in water (due to non - polar groups)
    Pka No common experimental data, but the hydroxyl group might have a relevant pKa value for acid - base reactions
    Flash Point Predicted around 169.5°C

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    General Information
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    Frequently Asked Questions

    As a leading 1H-Pyrrole-1-carboxylic acid, 4-cyano-2,5-dihydro-3-hydroxy-2,2-dimethyl-, tert-butyl ester supplier, we deliver high-quality products across diverse grades to meet evolving needs, empowering global customers with safe, efficient, and compliant chemical solutions.

    1H-Pyrrole-1-carboxylic acid, 4-cyano-2, 5-dihydro-3-hydroxy-2, 2-dimethyl-, tert-butyl ester
    This is 1H-pyrrole-1-carboxylic acid, 4-cyano-2,5-dihydro-3-hydroxy-2,2-dimethyl-tert-butyl ester, which is an organic compound. Looking at the structure of this compound, due to the presence of active groups such as cyanide and hydroxyl groups, the chemical properties are quite active.
    Cyanyl groups are nucleophilic and reactive, and can participate in many reactions, such as hydrolysis into carboxyl groups under appropriate conditions, or addition reactions with nucleophilic reagents. Hydroxyl groups are also active check points, and can participate in esterification, etherification and other reactions. Because their oxygen atoms have lone pairs of electrons, they can provide electron pairs to participate in the reaction.
    Furthermore, the structure of tert-butyl ester is relatively stable, but under specific conditions, such as acidic or alkaline environments, ester bonds can undergo hydrolysis reactions to generate corresponding carboxylic acids and tert-butyl alcohols.
    In addition, the 2,2-dimethyl structure in this compound affects the spatial structure and electron cloud distribution of the molecule, or changes its physicochemical properties and reactivity. This compound may have potential uses in the field of organic synthesis, and can be used as an intermediate to construct more complex organic molecular structures.
    What are the main uses of 1H-Pyrrole-1-carboxylic acid, 4-cyano-2, 5-dihydro-3-hydroxy-2, 2-dimethyl-, tert-butyl ester
    1H-pyrrole-1-carboxylic acid, 4-cyano-2,5-dihydro-3-hydroxy-2,2-dimethyl-tert-butyl ester, which is widely used. In the field of medicinal chemistry, it is often a key intermediate for the synthesis of specific drugs. Because of its unique chemical structure, it can precisely combine with many bioactive molecules to help develop innovative therapies for specific diseases. For example, in the creation of anti-tumor drugs, its structure can be cleverly modified to enhance the targeting and inhibitory effect on tumor cells.
    In the field of organic synthesis, it is a powerful cornerstone for building complex organic molecular structures. With its reactive groups, a series of organic compounds with complex structures and special properties can be derived through various chemical reactions, such as nucleophilic substitution, oxidation and reduction, etc., laying the foundation for the development of new functional materials in the field of materials science.
    In the field of materials science, through rational design and polymerization, polymer materials with unique optical and electrical properties can be prepared. For example, some synthesized polymer materials have shown excellent performance in photoelectric conversion, and are expected to be applied to photoelectric devices such as solar cells to improve their energy conversion efficiency. In short, this compound has important application value in many fields, providing a key material basis for related scientific research and technological innovation.
    1H-Pyrrole-1-carboxylic acid, 4-cyano-2, 5-dihydro-3-hydroxy-2, 2-dimethyl-, tert-butyl ester
    To prepare 1H-pyrrole-1-carboxylic acid, 4-cyano-2,5-dihydro-3-hydroxy-2,2-dimethyl-tert-butyl ester, the following ancient methods can be used.
    First take appropriate starting materials, such as pyrrole derivatives with specific substituents. In a fine way, the cyanide-containing reagents are introduced to form bonds at specific positions in the pyrrole ring to obtain cyanide-containing intermediates. This step requires the selection of suitable reaction conditions, such as precise regulation of temperature, reaction duration, and the use of suitable catalysts, to promote the efficient and accurate introduction of cyanide groups. < Br >
    Second, increase dimethyl on the intermediate. Organometallic reagents can be used to react with the intermediate at low temperature and in a harsh environment without water and oxygen, so that the dimethyl is successfully connected to the specified carbon position. This process requires extremely high reaction environment, and a little carelessness can easily lead to side reactions.
    Then, the dihydrogen structure is formed. Or use the method of catalytic hydrogenation, select a catalyst with suitable activity, pass hydrogen into the reaction system, and control it according to precise temperature and pressure to achieve the structural transformation of 2,5-dihydrogen. This step requires fine control of parameters such as hydrogen flow rate and catalyst dosage.
    Then introduce hydroxyl groups at specific positions. Nucleophilic substitution or oxidation can be used, depending on the structural characteristics of the intermediate. If it is a nucleophilic substitution, a nucleophilic reagent with good activity needs to be selected and reacted under the action of an appropriate solvent and base; if it is an oxidation method, a suitable oxidizing agent is selected to control the degree of reaction and avoid excessive oxidation.
    Finally, the formation reaction of tert-butyl ester is carried out. Tert-butyl alcohol and an intermediate containing carboxyl groups are used to condensate the two to form the target tert-butyl ester product under the action of a condensing agent under mild reaction conditions. The choice of condensing agent is very important, and different condensing agents have different effects on the reaction rate and yield.
    After each step of the reaction, it is necessary to use ancient separation and purification methods, such as recrystallization, column chromatography, etc., to obtain pure intermediates or products to ensure the smoothness of subsequent reactions and the purity of the final product.
    1H-Pyrrole-1-carboxylic acid, 4-cyano-2, 5-dihydro-3-hydroxy-2, 2-dimethyl-, tert-butyl ester
    Guanfu 1H - Pyrrole - 1 - carboxylic acid, 4 - cyano - 2,5 - dihydro - 3 - hydroxy - 2,2 - dimethyl -, tert - butyl ester. The market prospect of this product is related to many factors.
    In the field of medicine, many researchers are committed to the research of new compounds, hoping to discover unique biological activities. This compound has a unique structure or contains special functional groups, which can be combined with specific targets in organisms. If in-depth pharmacological research proves that it has affinity and regulation power for certain diseases, such as tumors, inflammation and other related targets, it is expected to be developed as a new type of drug. The current pharmaceutical market has a strong demand for high-efficiency and low-toxicity new drugs. If this compound emerges in this regard, it will definitely attract the attention of pharmaceutical companies, and the market prospect is bright.
    In the field of material science, it may exhibit special physical and chemical properties due to its structural properties. For example, in optical materials, it may exhibit unique photoluminescence properties; in the field of polymer materials, it may be used as a functional monomer to participate in polymerization reactions and endow materials with new properties. Today's materials industry pursues high-performance, multi-functional materials. If it can meet this demand, it will also find a broad application world.
    However, its market expansion also faces challenges. The complexity of the synthesis process determines the cost of production. If the synthesis steps are cumbersome, raw materials are scarce and expensive, large-scale production is limited, and marketing activities are difficult. And new drug research and development requires a long and strict approval process, and the results of preclinical and clinical trials are unpredictable. If the data is poor, the road to medical application will be blocked. In terms of material application, it needs to compete with existing mature materials, and it must highlight advantages in performance and cost in order to be recognized by the market.
    Overall, if 1H - Pyrrole - 1 - carboxylic acid, 4 - cyano - 2,5 - dihydro - 3 - hydroxy - 2,2 - dimethyl -, tert - butyl ester can overcome the synthesis and application problems, it may have considerable market prospects in the fields of medicine and materials; conversely, it may be difficult to gain a foothold in the market.
    1H-Pyrrole-1-carboxylic acid, 4-cyano-2, 5-dihydro-3-hydroxy-2, 2-dimethyl-, tert-butyl ester What are the precautions in storage and transportation
    1H-pyrrole-1-carboxylic acid, 4-cyano-2,5-dihydro-3-hydroxy-2,2-dimethyl-tert-butyl ester, when storing and transporting, many matters need to be paid attention to.
    Let's talk about storage first. This substance may be sensitive and should be placed in a cool and dry place. If the environment is humid, the compound may be damp, causing chemical reactions such as hydrolysis to occur, destroying its chemical structure, which in turn affects its quality and performance. The temperature also needs to be strictly controlled. Excessive temperature may cause heat to decompose, and too low temperature may cause its crystal form to change, so it is crucial to maintain a suitable temperature range. At the same time, it is necessary to ensure that the storage place is well ventilated to prevent the accumulation of harmful gases.
    As for transportation, it is classified as a hazardous chemical because of its specific chemical properties. Before transportation, it is necessary to properly pack it in accordance with relevant regulations. Packaging materials need to be effectively protected to avoid collision and vibration that cause package damage and material leakage. During transportation, the conditions of transportation tools also need to be paid attention to, to maintain a stable temperature and humidity environment, and not to be too bumpy. Transportation personnel must be professionally trained, familiar with the characteristics of the substance and emergency treatment methods. In case of emergencies such as leakage, they can be disposed of quickly and properly to avoid serious consequences. In short, whether it is storage or transportation of 1H-pyrrole-1-carboxylic acid, 4-cyano-2,5-dihydro-3-hydroxy-2,2-dimethyl-tert-butyl ester, all need to be treated with caution, strictly follow the standard process to ensure safety.