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What is the chemical structure of 4- (benzyloxy) -3-ethoxy-n-ethyl-5-iodobenzamide?
The name of this substance is "4- (benzyloxy) -3-ethoxy-N-ethyl-5-iodobenzamide", and its chemical structure is as follows:
Benzamide is the core structure, which is a class of compounds containing an amide group (-CONH -) connected to the benzene ring. In this structure, multiple positions on the benzene ring are replaced by specific groups.
is at the 4th position of the benzene ring, and is connected with a benzoxy group (-OCH -2 C H). The benzoxy group is formed by connecting the benzyl group (C H CH ² -) to the oxygen atom. The benzene ring in the benzyl group is connected to the methylene group, and the methylene group is connected to the oxygen atom, and then connected to the benzene ring at position 4.
At position 3, it is the ethoxy group (-OCH < CH < CH < 3). Ethoxy is formed by connecting the ethyl group (-CH < CH < CH < 3) to the oxygen atom. Ethyl is the group after removing a hydrogen atom from ethane. This oxygen atom connects the ethyl group to the benzene ring at position 3.
At position 5, it is the iodine atom (I), which is directly connected to the
In addition, the nitrogen atom of benzamide is connected to the ethyl group (-CH ² CH 😉), forming the N-ethyl structure.
In this way, each group is connected to the core structure of benzamide at a specific position, and together form the chemical structure of 4- (benzyloxy) -3-ethoxy-N-ethyl-5-iodobenzamide. The different groups in this structure give the compound specific physical and chemical properties, and may have specific uses in fields such as organic synthesis and medicinal chemistry.
What are the main uses of 4- (benzyloxy) -3-ethoxy-n-ethyl-5-iodobenzamide?
4- (benzyloxy) -3-ethoxy-N-ethyl-5-iodobenzamide is an organic compound. It has a wide range of uses and is often used as a key intermediate in the field of medicinal chemistry. Due to the delicacy of organic synthesis, the construction of many drug molecules requires such compounds containing specific functional groups as the starting material, and a series of chemical reactions are used to precisely splice each structural fragment to shape drugs with specific pharmacological activities.
In the process of developing new drugs, chemists often carefully select such compounds and ingeniously modify and modify their structures. For example, by adjusting the structure of groups such as benzyloxy, ethoxy or N-ethyl, the interaction of the synthesized new compounds with biological targets is explored, and drug candidates with better efficacy and less side effects are expected to be found.
Furthermore, in the field of materials science, it may also have unique uses. The creation of some organic functional materials requires compounds with specific electronic structures and spatial configurations as the basis. 4 - (benzyloxy) - 3 - ethoxy - N - ethyl - 5 - iodobenzamide has iodine atoms, benzene rings and various alkoxy groups and other structural elements, which may endow the material with special photoelectric properties. For example, in the synthesis of organic semiconductor materials, such compounds may participate in the construction of conjugated systems, thereby affecting the charge transport ability of the materials and laying the foundation for the development of high-performance organic electronic devices. In short, this compound has potential application value in many aspects of scientific research and industrial production, just like a jade to be carved, bringing infinite possibilities for the development of many fields.
What is the synthesis method of 4- (benzyloxy) -3-ethoxy-n-ethyl-5-iodobenzamide?
To prepare 4 - (benzyloxy) - 3 - ethoxy - N - ethyl - 5 - iodobenzamide, the method is as follows:
Take 3 - ethoxy - 5 - iodobenzoic acid as the starting material, which is the key starting material. Place it in the reaction vessel and add an appropriate amount of condensation agent, such as dicyclohexyl carbodiimide (DCC), which can promote the subsequent reaction. Then add N - ethylbenzylamine, this reagent can react with the starting material, and the two can gradually form an intermediate product under the action of the condensation agent.
When reacting, the reaction conditions need to be strictly controlled. The temperature has a great impact on the reaction process. Generally, it should be maintained at a moderate temperature, between about 40 and 60 degrees Celsius. This temperature range can make the reaction progress smoothly without triggering side reactions. The pH of the reaction system also needs to be paid attention to. Adjusting to a neutral or slightly alkaline environment is more conducive to the occurrence of the reaction.
After the initial completion of the reaction, a mixed system containing intermediate products is obtained. At this time, the separation and purification operation needs to be carried out. First, it is extracted with an organic solvent, and the difference in solubility of each component in different solvents is used to initially separate the target product from the impurities. Commonly used organic solvents such as ethyl acetate have good solubility to intermediate products and good separation effect from impurities. After extraction, the organic phase was collected and dried with anhydrous sodium sulfate to remove the moisture contained therein.
Subsequently, the dried organic phase was distilled under reduced pressure to remove the organic solvent to obtain a crude product. The crude product still contains some impurities and needs to be further purified. Column chromatography was used, using silica gel as the stationary phase, and a suitable eluent was selected, such as a mixed solvent of petroleum ether and ethyl acetate, which was prepared in proportion to enable the target product and impurities to be effectively separated on the column. Finally, pure 4- (benzyloxy) -3-ethoxy-N-ethyl-5-iodobenzamide was obtained.
What are the physical and chemical properties of 4- (benzyloxy) -3-ethoxy-n-ethyl-5-iodobenzamide?
4- (benzyloxy) -3-ethoxy-N-ethyl-5-iodobenzamide, which is an organic compound with unique physical and chemical properties.
Looking at its physical properties, it is mostly white to light yellow crystalline powder under normal conditions, which is conducive to preservation and use. The melting point is in a specific range, which has been experimentally determined to be between [X] ° C and [X] ° C. The melting point is fixed, which can be used as a basis for purity judgment. Its solubility is quite critical, and it has good solubility in organic solvents such as dichloromethane, N, N-dimethylformamide, but it has little solubility in water. The difference in solubility is due to the dominance of lipophilic groups in the molecular structure, which is of great significance in the selection of solvents for organic synthesis and drug development.
In terms of its chemical properties, many functional groups in the molecule endow it with active reactivity. Benzamide groups can participate in amide bond-related reactions, such as substitution reactions with nucleophiles under specific conditions, to achieve molecular structure modification. The benzyl part of the benzoxy group is relatively stable due to the conjugation effect of the benzene ring, but under strong acidic or strongly basic and high temperature conditions, the benzyl group may leave to form phenolic derivatives. Ethoxy groups can also participate in ether bond-related reactions. Although the stability is good, in the case of special reagents, such as hydroiodic acid, ether bonds can be broken to generate ethanol and iodoaromatic hydrocarbons. The 5-position iodine atom has high reactivity, and under the catalysis of transition metals, it can participate in coupling reactions, such as Suzuki coupling, Stille coupling, etc., to construct carbon-carbon bonds, expand the molecular skeleton, and lay the foundation for the synthesis of complex organic compounds. This compound is chemically active and has broad application prospects in the field of organic synthesis.
What is the price range of 4- (benzyloxy) -3-ethoxy-n-ethyl-5-iodobenzamide in the market?
I don't know if 4- (benzyloxy) -3-ethoxy-N-ethyl-5-iodobenzamide is in the market price range. This compound is very popular with well-known products, and its price is determined by many factors.
First, the difficulty of preparing this compound affects its price. If the preparation requires cumbersome steps, special raw materials or harsh reaction conditions, the cost will be high, and the price will also rise. For example, if the synthesis requires rare metal catalysts or goes through multiple steps of fine reactions, it consumes a lot of manpower and material resources, and the price will not be low.
Second, the amount of market demand is related to the price. If only a few scientific research projects or industrial applications are needed, the demand is limited, the production scale is small, the unit cost is high, and the price is high; if there is a wide demand in the fields of pharmaceutical research and development, specific material synthesis, etc., large-scale production may reduce the cost and the price may become reasonable.
Third, supplier differences have a great impact on the price. Different suppliers have different pricing due to different production processes, raw material procurement costs, operating costs, etc. Suppliers with good reputation and stable quality may have relatively high product prices.
Fourth, purity requirements are closely related to price. High purity 4 - (benzyloxy) - 3 - ethoxy - N - ethyl - 5 - iodobenzamide is used in high-end scientific research or pharmaceutical production, and the purification cost is high, and the price is much higher than that of ordinary purity products.
Due to the lack of relevant market data, it is difficult to give a specific price range. To know the price, you can consult chemical reagent suppliers, check on chemical product trading platforms, or consult industry experts to obtain more accurate price information.