Chemical Formula | C21H20ClFO5 |
Molecular Weight | 408.83 |
Appearance | Typically a solid (physical state depends on conditions) |
Solubility In Water | Expected to be low (due to non - polar aromatic groups) |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, ethyl acetate (general behavior of similar esters) |
Logp | Positive value (hydrophobic due to aromatic rings, specific value requires calculation or experiment) |
Chemical Formula | C22H22ClFO5 |
Molecular Weight | 424.86 |
Appearance | Solid (usually) |
Physical State At Room Temperature | Solid |
Solubility In Water | Low solubility, likely hydrophobic |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Stability | Stable under normal conditions, may decompose under extreme heat or in presence of strong oxidizing agents |
Odor | Odorless or faint odor (usually) |
What are the chemical properties of ethyl 3- [5- (3-chloro-2-fluorobenzyl) -2,4-dimethoxyphenyl] -3-oxopropanoate
ethyl+3-%5B5-%283-chloro-2-fluorobenzyl%29-2%2C4-dimethoxyphenyl%5D-3-oxopropanoate, this is the English name of an organic compound. Its chemical properties are described in the classical Chinese genre of Tiangong Kaiwu, as follows:
This compound has a unique structure and chemical characteristics. Its molecular structure contains 3-chloro-2-fluorobenzyl, 2,4-dimethoxyphenyl, ethyl ester and 3-oxopropionate. Its chemical activity is complicated due to the interaction of each group.
In common organic solvents, it may have certain solubility. Due to the existence of ester groups, when encountering strong bases, it may react with hydrolysis to form corresponding carboxylate and alcohol. And aromatic ring parts, such as 3-chloro-2-fluorobenzyl-linked benzene ring and 2,4-dimethoxy phenyl group, can undergo aromatic electrophilic substitution reactions, and substituents such as halogen atoms and methoxy groups can affect the localization effect of the reaction.
Its 3-oxopropionate structure may participate in reactions such as Claisen condensation, and under appropriate conditions, interact with other compounds containing active hydrogen to form new carbon-carbon bonds to derive diverse organic products. The chemical properties of this compound may have potential applications in the field of organic synthesis, and it can be used as a key intermediate to prepare more complex and functionally specific organic molecules.
What are the synthesis methods of ethyl 3- [5- (3-chloro-2-fluorobenzyl) -2,4-dimethoxyphenyl] -3-oxopropanoate
To prepare ethyl 3- [5- (3-chloro-2-fluorobenzyl) -2,4-dimethoxyphenyl] -3-oxopropanoate, the following ancient method can be used.
First take 3-chloro-2-fluorobenzyl chloride and 2,4-dimethoxybenzaldehyde, under the catalysis of alkali, and react with a suitable organic solvent, such as N, N-dimethylformamide (DMF), heated and stirred to obtain 5- (3-chloro-2-fluorobenzyl) -2, 4-dimethoxybenzaldehyde. This process requires temperature control and attention to the amount of base to ensure that the reaction proceeds in the desired direction.
Then, the obtained 5- (3-chloro-2-fluorobenzyl) -2,4-dimethoxybenzaldehyde and diethyl malonate are refluxed in ethanol solvent in the presence of sodium alkali. This reaction aims to introduce diethyl malonate fragments at the aldehyde ortho-position to form key intermediates. After the reaction, the intermediate is cooled and acidified to precipitate.
Finally, this intermediate is hydrolyzed under alkaline conditions, and then acidified and decarboxylated to obtain ethyl 3- [5- (3-chloro-2-fluorobenzyl) -2, 4-dimethoxyphenyl] -3 -oxopropanoate. The hydrolysis step requires careful selection of the type and concentration of the base, and the degree of acidification should also be controlled to avoid damage to the product. The entire synthesis process requires close attention to the reaction conditions, from temperature, reagent dosage to post-processing steps, all of which are related to the yield and purity of the product.
What is the main use of ethyl 3- [5- (3-chloro-2-fluorobenzyl) -2,4-dimethoxyphenyl] -3-oxopropanoate
Ethyl 3- [5 - (3 - chloro - 2 - fluorobenzyl) -2, 4 - dimethoxyphenyl] -3 - oxopropanoate is an organic compound. It has a wide range of uses. In the field of medicinal chemistry, it is often used as a key intermediate for the synthesis of compounds with specific biological activities. Or in the process of new drug development, it is modified by a specific chemical reaction and converted into a drug molecule with the effect of treating specific diseases, such as targeting certain inflammatory or tumor-related targets.
It also has its uses in the field of materials science. Through further reactions, specific functional groups can be introduced to endow the material with unique properties, such as improving the optical properties of the material, making it suitable for the preparation of optical materials; or enhancing the stability and durability of the material, so that it can be applied to materials in special environments.
Furthermore, in the study of organic synthetic chemistry, this compound can serve as an important starting material or reaction module. With the help of various organic reactions, such as nucleophilic substitution and condensation reactions, more complex organic molecular structures can be constructed, enabling chemists to explore the synthesis paths and methods of novel organic compounds, and contributing to the development of organic synthetic chemistry.
What is the market outlook for ethyl 3- [5- (3-chloro-2-fluorobenzyl) -2,4-dimethoxyphenyl] -3-oxopropanoate
Ethyl 3- [5- (3-chloro-2-fluorobenzyl) -2,4-dimethoxyphenyl] -3-oxopropionate, this compound has considerable market prospects in the current market.
In today's chemical industry, the demand for fine chemicals is on the rise. Due to its unique chemical structure, this compound has emerged in the creation of medicine and pesticides. In pharmaceutical research and development, it may become a key intermediate for new drugs, helping to synthesize drug molecules with specific physiological activities, which is of great significance for overcoming difficult diseases. In terms of pesticides, new pesticides with high efficiency, low toxicity and environmental friendliness can be derived, which meet the demands of modern agriculture for green and safe pesticides, and the market potential is huge.
Furthermore, with the progress of science and technology, the chemical synthesis process continues to improve. The process of synthesizing this compound is also continuously optimized, the production cost is gradually reduced, and the product purity is gradually improved, which undoubtedly enhances its market competitiveness. Coupled with the deep integration of the global chemical industry chain, it has created a good environment for the supply of raw materials and product sales of this compound, and expanded the market space.
At the same time, relevant laws and policies have tightened the supervision of chemical products, prompting enterprises to continuously improve the production process and product quality. With its own characteristics, this compound is easier to meet environmental protection and safety standards. In the context of compliance production, it is easier to stand out and gain a firm foothold in the market. The future is bright.
What are the precautions in the preparation of ethyl 3- [5- (3-chloro-2-fluorobenzyl) -2,4-dimethoxyphenyl] -3-oxopropanoate
When preparing ethyl 3 - [5 - (3 - chloro - 2 - fluorobenzyl) -2, 4 - dimethoxyphenyl] -3 - oxopropanoate, many key things need to be paid attention to.
The quality of the starting material is of paramount importance. The purity of the 3 - chloro - 2 - fluorobenzyl related reagents, 2,4 - dimethoxyphenyl derivatives and other raw materials used must be up to standard, otherwise impurities will accumulate in the reaction, seriously affecting the purity and yield of the product. For example, if the 3 - chloro - 2 - fluorobenzyl reagent contains impurities, side reactions may be introduced in the benzylation step to generate non-target benzylation products. < Br >
Precise control of the reaction conditions is indispensable. In terms of temperature, different reaction stages have strict temperature requirements. In the reaction step of forming key carbon-carbon bonds or carbon-oxygen bonds, if the temperature is too high, the reaction rate will be accelerated, but the probability of side reactions will increase greatly; if the temperature is too low, the reaction rate will be delayed, and the reaction may even be stalled. Taking the condensation reaction as an example, improper temperature may lead to incomplete or excessive condensation. PH is also extremely critical. A suitable pH environment is conducive to the occurrence of a specific reaction path. If the pH is out of control, it may change the activity of the reactants and cause unnecessary side reactions. The choice of reaction solvent for
needs to be cautious. The solvent must not only dissolve the reactants well and promote the collision reaction between molecules, but also adapt to the reaction conditions. For example, in some moisture-sensitive reactions, the water content of the solvent must be strictly controlled, otherwise the water may participate in the reaction and interfere with the reaction process.
Monitoring during the reaction process is essential. With the help of thin layer chromatography (TLC), high performance liquid chromatography (HPLC) and other means to monitor the progress of the reaction in real time, it can detect whether the reaction is proceeding as expected in time. If any abnormalities are found, such as new spots or peaks, the reaction conditions can be adjusted in time to avoid the formation of a large number of by-products. The separation and purification of
products is also a key link. After the reaction, the crude product is often mixed with impurities such as unreacted raw materials, by-products and solv The selection of appropriate separation methods, such as column chromatography and recrystallization, is crucial for obtaining high-purity products. The selection of stationary phase and eluent in column chromatography, and the screening of solvents in recrystallization are directly related to the purity and yield of the products.