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What is the main use of Ethyl (R) - [Alpha- (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate
Ethyl (R) - [alpha - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate, Chinese name (R) -alpha - (trifluoromethanesulfonyloxy) ethyl phenylbutyrate, this substance is mostly used in the field of synthesis. It is often used as an important medium in the synthesis, especially in the construction of specific compounds.
Because its molecule contains trifluoromethanesulfonyloxy ethyl phenylbutyrate, these two characteristics give the compound a multi-reaction activity. Trifluoromethanesulfonyloxy has nuclear substitution reaction activity, and can often lead to multiple substitution reactions, which can improve the efficiency of each nucleus and introduce different functionalities. And the ethyl phenyl butyrate can be used for the development of the molecular skeleton or the reduction of functionalities, such as ester crossing, hydrolysis, etc.
Furthermore, in some synthetic pathways of compounds, Ethyl (R) - [alpha - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate also plays a role. Through its anti-reaction, it can be used to identify specific fragments of compounds with closely related activities, assist in the synthesis of molecules with specific biological activities, and promote the research process of compounds. In addition, it plays an indispensable role in the research of synthetic compounds and other fields.
What are the synthesis methods of Ethyl (R) - [Alpha- (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate
To prepare Ethyl (R) - [alpha - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate, the method of organic synthesis is often followed. The starting material can be selected from phenylbutyric acid with the (R) configuration, which is the key, because its chirality determines the configuration of the product.
First take phenylbutyric acid and place it with an appropriate base to ionize the carboxyl group and enhance its nucleophilicity. Subsequently, trifluoromethanesulfonyl chloride (Trifluoromethylsulfonyl chloride, TfCl) is introduced, which is the key reagent for introducing trifluoromethanesulfonyl oxide. The reaction between the two, the carboxyl negative ion nucleophilic attacks the sulfur atom of TfCl, and the chloride ion leaves to generate (R) -alpha - (Trifluoromethylsulfonyl) OxyBenzenebutanoic acid. In this step, it is necessary to pay attention to the reaction conditions and control the temperature at low temperature, such as 0-5 ° C, to prevent side reactions and maintain the configuration stability.
To obtain (R) -alpha - (Trifluoromethylsulfonyl) OxyBenzenebutanoic acid, esterification reaction is performed. Ethanol is selected as an alcohol reagent, and concentrated sulfuric acid or p-toluenesulfonic acid is used as a catalyst to heat and reflux. The acid and alcohol are nucleophilized and dehydrated to form esters to obtain Ethyl (R) - [alpha - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate. However, when catalyzing concentrated sulfuric acid, it is necessary to beware of empty resistance and the influence on sensitive groups. Or DCC (dicyclohexyl carbodiimide) and DMAP (4-dimethylaminopyridine) systems can be used. This condition is mild, with good substrate compatibility, and the yield and purity can be improved.
The whole synthesis process requires thin-layer chromatography (TLC), nuclear magnetic resonance (NMR), mass spectrometry (MS) and other methods to monitor the reaction process to determine the structure and purity of the product. After each step of the reaction, it is purified by extraction, column chromatography, etc., to remove impurities, and prepare an excellent material for the next reaction, so that the target product can be obtained.
What are the physicochemical properties of Ethyl (R) - [Alpha- (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate
Ethyl (R) - [α - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate is an organic compound with unique physical and chemical properties.
Looking at its physical properties, it may be in a liquid state at room temperature and pressure. Due to the molecular structure, it contains ester groups and benzene rings, etc., which interact to cause it to exhibit liquid properties. From the perspective of melting and boiling point, due to the existence of van der Waals force and dipole-dipole force between molecules, the boiling point may be higher. And there are many fluorine atoms in the molecule, which contain strong electronegative fluorine, which increases molecular polarity and enhances the intermolecular force and elevates the boiling point.
When it comes to chemical properties, ester groups are the key active sites. Hydrolysis can occur, and ester bonds can be broken under acidic or alkaline conditions. In an acidic medium, it is hydrolyzed into carboxylic acids and alcohols; in an alkaline environment, the hydrolysis is more thorough, resulting in carboxylic salts and alcohols. And because of the α-position attached to the trifluoromethanesulfonyxy group, this structure has high activity and is prone to nucleophilic substitution reactions. Nucleophilic reagents are prone to attack α carbon atoms, and trifluoromethanesulfonyxy groups leave as a good leaving group to form new organic compounds. At the same time, benzene rings can undergo typical aromatic electrophilic substitution reactions, such as halogenation, nitrification, sulfonation, etc. Due to the high electron cloud density of benzene rings, they are vulnerable to attack by electrophilic reagents. Trifluoromethyl in the molecule has strong electron-absorbing properties, which can affect the distribution of benzene ring electron clouds, which in turn affects the activity and regioselectivity of electro
Ethyl (R) - [Alpha- (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate What are the precautions during storage and transportation
Ethyl (R) - [alpha - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate is a fine organic compound. During storage and transportation, many matters must be paid attention to to to ensure its quality and safety.
First word storage. This compound is sensitive to environmental conditions and should be placed in a cool, dry and well ventilated place. Avoid high temperatures, which can easily cause it to decompose or deteriorate. If the temperature is too high, the chemical bonds in the molecule may be affected, causing its chemical properties to change. And it is necessary to keep away from fire sources and oxidants, because it may be flammable or react violently with oxidants, causing the risk of fire or explosion. Furthermore, the storage place should be kept dry, with moisture or hydrolysis reactions that damage the structure and purity of the compound. It must be stored in a sealed container to prevent contact with air and prevent oxidation or absorption of water vapor.
As for transportation, there are also many points. Before transportation, be sure to ensure that the packaging is strong and well sealed. To prevent shock and collision from causing damage to the package and causing the compound to leak. During transportation, suitable temperature and humidity conditions should be maintained. Temperature-controlled transportation equipment can be used to keep the temperature stable. At the same time, transportation personnel need to understand the characteristics of the compound and emergency treatment methods. If there is a leak, it can be dealt with quickly according to safety procedures to minimize the harm. And transportation vehicles should be equipped with corresponding fire and leakage emergency equipment to prepare for emergencies. In short, when storing and transporting Ethyl (R) - [alpha - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate, many aspects such as temperature and humidity, packaging, fire and explosion protection, and personnel training must be carefully considered to ensure its safety.
What is the market outlook for Ethyl (R) - [Alpha- (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate?
Ethyl (R) - [α - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate is a specific compound in the field of organic chemistry. Looking at its market prospects, it can be said to have great potential.
From the perspective of chemical raw materials, with the advancement of chemical technology, the acquisition and preparation processes of related raw materials are becoming more and more mature. Many basic raw materials are required, and the supply in the chemical market is gradually stable and the cost can be controlled, which paves the way for the large-scale production of this compound.
In the field of pharmaceutical synthesis, this compound shows unique value. Many new drug development has a strong demand for organic compounds with specific structures, and their unique chemical structures may provide novel ideas and key intermediates for drug molecule design. At present, the global pharmaceutical industry is booming, the investment in new drug research and development continues to rise, and the demand for such special structural compounds is also rising. This compound may become an important link in the pharmaceutical R & D supply chain.
In the field of materials science, with the in-depth research of functional materials, the exploration of organic compounds with special properties has never stopped. The compound contains specific functional groups or endows materials with unique physical and chemical properties, such as improving the solubility and thermal stability of materials. With the accelerated pace of innovation in materials science, it may gain more application opportunities in the preparation of new functional materials.
However, its market expansion also faces challenges. Although the synthesis process has made progress, it still needs to be optimized to improve the yield and reduce costs in order to gain an advantage in the market competition. And it takes time for the market to recognize and accept new compounds, and it needs to be promoted by the chemical, pharmaceutical and materials industries to enhance the understanding of their performance and application potential. Overall, the market for Ethyl (R) - [alpha - (Trifluoromethylsulfonyl) Oxy] Benzenebutanoate has a bright future, but many difficulties need to be overcome to fully unlock its commercial value.