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What is the chemical nature of the product Ethyl 5-iodo-1-methyl-1h-pyrazole-4-carboxylate
Ethyl 5-iodo-1-methyl-1H-pyrazole-4-carboxylate (ethyl 5-iodo-1-methyl-1H-pyrazole-4-carboxylate) is an organic compound. Its physical properties are mostly solid at room temperature, and its color may be white to pale yellow crystalline powder. Due to the interaction of van der Waals forces and hydrogen bonds between molecules, it exists in a solid state at room temperature.
On solubility, it has good solubility in organic solvents such as dichloromethane, chloroform, and tetrahydrofuran. Due to the hydrophobicity of the compound molecule, it can interact with organic solvent molecules by van der Waals force to achieve mutual solubility. However, due to poor solubility in water, its molecular polarity is not enough to form strong hydrogen bonds with water molecules, and it is difficult to overcome hydrogen bonds between water molecules, so it is difficult to dissolve in water.
In terms of chemical properties, the iodine atom of this compound is quite active. The iodine atom has a large atomic radius and a weak C-I bond, which is prone to nucleophilic substitution. In case of nucleophilic reagents, the iodine atom can be replaced to form new organic compounds. The ester group is also an active functional group and can undergo hydrolysis reaction. Under acidic or basic conditions, the ester group can be hydrolyzed. Under basic conditions, hydrolysis is more thorough, resulting in the formation of corresponding carboxylate and ethanol. This is because under basic conditions, hydroxide ions have strong nucleophilic attack ability on ester carbonyl carbons. In addition, the nitrogen atoms on the pyrazole ring have lone pair electrons, which can participate in the coordination reaction and form complexes with metal ions, showing unique chemical properties.
What are the main uses of Ethyl 5-iodo-1-methyl-1h-pyrazole-4-carboxylate?
Ethyl-5-iodine-1-methyl-1H-pyrazole-4-carboxylic acid ester is an organic compound with important uses in many fields.
First, it is often used as a key intermediate in the field of medicinal chemistry. Drug development requires the synthesis of active compounds with diverse structures. The pyrazole ring structure and iodine, ester and other substituents of this compound endow it with unique chemical activity and spatial structure. Through reasonable modification, it can be matched with specific biological targets, and then new therapeutic drugs can be developed. For example, some drugs with pyrazole as the core structure have shown good therapeutic effects on specific diseases. As an intermediate, this compound provides the basic structure for the development of new pyrazole drugs, which is helpful for the discovery of drugs with better efficacy and safety.
Second, in the field of materials science, it can participate in the preparation of functional materials. For example, in organic optoelectronic materials, due to the presence of specific functional groups, the photoelectric properties of the material can be affected. By ingeniously designing and introducing it into polymers or other material systems, the electronic transport and luminescence properties of the material can be adjusted, so that it can be applied to organic Light Emitting Diodes (OLEDs), solar cells and other devices to improve the performance and efficiency of these devices. Third, in the field of organic synthetic chemistry, it is an extremely useful synthetic building block. The iodine atoms in its structure can undergo a variety of substitution reactions, and the ester groups can also be converted into other functional groups through hydrolysis, alcoholysis, aminolysis, etc., thereby constructing more complex organic molecular structures, providing an effective way for the synthesis of organic compounds with specific functions and structures, and promoting the development of organic synthetic chemistry.
What is the synthesis method of Ethyl 5-iodo-1-methyl-1h-pyrazole-4-carboxylate?
The preparation of ethyl 5-iodine-1-methyl-1H-pyrazole-4-carboxylic acid esters can be carried out according to the following steps.
Take 1-methyl-1H-pyrazole-4-carboxylic acid as the starting material, which can be obtained by methylation of the corresponding pyrazole derivative. Dissolve 1-methyl-1H-pyrazole-4-carboxylic acid in suitable organic solvents such as dichloromethane, N, N-dimethylformamide (DMF), etc.
Subsequently, an appropriate amount of halogenated reagent is added to introduce iodine atoms. Commonly used are iodizing reagents, such as iodine element (I ³) in combination with appropriate reducing agents, or specific organic iodide reagents. Under suitable temperature and reaction conditions, make it fully react. This reaction may need to be carried out in the presence of a base. The base can be selected from inorganic bases such as potassium carbonate and sodium carbonate to help the smooth progress of the reaction and promote the selective substitution of iodine atoms in the 5-position.
After the iodine substitution reaction is completed, the reaction mixture is treated. The organic phase containing the target iodine substitution product is separated by conventional extraction, washing and other means, and the iodine substitution intermediate is obtained by drying and concentration.
Then proceed with esterification reaction. Mix the obtained 5-iodine-1-methyl-1H-pyrazole-4-carboxylic acid with ethanol, add an appropriate amount of concentrated sulfuric acid or p-toluenesulfonic acid as esterification catalyst. Under the condition of heating and refluxing, the two are esterified to form ethyl 5-iodine-1-methyl-1H-pyrazole-4-carboxylic acid ester.
At the end of the reaction, the product is purified by distillation, column chromatography, etc., and impurities such as unreacted raw materials and by-products are removed. Finally, pure ethyl 5-iodine-1-methyl-1H-pyrazole-4-carboxylate can be obtained. The whole preparation process needs to pay attention to the precise control of reaction conditions to ensure the yield of the reaction and the purity of the product.
What are the precautions for Ethyl 5-iodo-1-methyl-1h-pyrazole-4-carboxylate during storage and transportation?
Ethyl 5 - iodo - 1 - methyl - 1H - pyrazole - 4 - carboxylate is an organic compound. During storage and transportation, many key matters need to be paid attention to.
When storing, choose the first environment. It should be placed in a cool and dry place away from direct sunlight. This compound may be sensitive to light, and light can easily cause photochemical reactions to cause structural changes or decomposition, which can damage its quality and purity. And humid environments can cause reactions such as hydrolysis, so dry environments are essential.
Temperature control should not be underestimated. It should be stored in a suitable temperature range, usually at room temperature or in a specific low temperature environment. If the temperature is too high, the molecular movement will intensify, or cause adverse reactions such as decomposition and polymerization; if the temperature is too low, in some cases, it may cause crystallization to precipitate, which will affect the use and subsequent use.
Furthermore, storage containers must be selected with caution. Containers with good corrosion resistance and sealing should be used. Glass containers may be a common choice, but if compounds are aggressive to glass or react with glass components, special plastic containers should be selected. Good sealing can prevent contact with air, avoid oxidation and absorb impurities such as moisture and carbon dioxide in the air.
During transportation, the packaging must be stable. To prevent vibration and collision from causing damage to the container and causing compound leakage. And the transportation vehicle should be equipped with temperature control equipment to maintain a suitable temperature. If the transportation route is too bumpy, or the temperature fluctuates greatly, it poses a threat to the stability of the compound.
At the same time, transportation and storage personnel need to be professionally trained to be familiar with the characteristics and safety precautions of the compound. In the event of an accident such as leakage, it can be handled quickly and properly to prevent the harm from expanding. In this way, the safety and stability of Ethyl 5-iodo-1-methyl-1H-pyrazole-4-carboxylate during storage and transportation must be ensured.
What is the market price of Ethyl 5-iodo-1-methyl-1h-pyrazole-4-carboxylate?
Your inquiry is about the market price of "Ethyl 5 - iodo - 1 - methyl - 1h - pyrazole - 4 - carboxylate". However, the price of this product is difficult to determine. It is affected by many factors, such as the price of raw materials, the difficulty of preparation, the situation of supply and demand, the high and low quality, and the market changes, and the price also shifts from time to time.
If you want to explore the approximate price, you should look for it in the market for chemical raw materials trading, professional chemical sales platforms, and industry information websites. Or negotiate with chemical raw material suppliers, distributors, etc. to get the latest and accurate quotations.
Looking at the price of chemical products in the past, if the raw materials are easy to obtain and the preparation is convenient, the price may be relatively easy; on the contrary, if the raw materials are scarce and the preparation is cumbersome, the price will be high. And if the market demand is strong and the supply is limited, the price will also rise; if the supply exceeds the demand, the price may appear to be down.
But based on this name alone, it is difficult to give you an accurate price. I also hope that you can get a near-real market price by investigating all parties in the market.
