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What is the main use of Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate?
Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate, Chinese name ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate, this compound has a wide range of uses.
In the field of pharmaceutical synthesis, it is often used as a key intermediate. The structure of the pyridine ring and the characteristics of specific functional groups such as trifluoromethyl, hydroxy, and ester give the compounds unique physical and chemical properties. Pyridine rings are widely present in many bioactive molecules, and trifluoromethyl can significantly affect the fat solubility, metabolic stability and biological activity of compounds. Hydroxyl groups can participate in the formation of hydrogen bonds and affect intermolecular interactions. Ester groups can also be converted into other functional groups through reactions such as hydrolysis. In the process of drug development, this is used as a starting material. By modifying and transforming its functional groups, compounds with diverse and complex structures and potential biological activities can be constructed, and then drugs with good efficacy and small side effects can be screened.
In the field of pesticides, this compound also plays an important role. Because of its unique chemical structure and properties, it has inhibitory or killing activity against specific crop pests and bacteria. It can be used to develop new pesticides, fungicides and other pesticide products. Through precise design and synthesis, it can specifically act on target organisms, improve the control effect of pesticides, and reduce the impact on the environment and non-target organisms, which is in line with the development trend of modern green pesticides.
In addition, in the study of organic synthetic chemistry, ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate serves as a multifunctional synthetic block, providing organic synthetic chemists with rich reaction possibilities. With the help of various organic reactions, such as nucleophilic substitution, electrophilic substitution, redox, etc., structural modification and derivatization are carried out to synthesize organic compounds with novel structures and unique functions, injecting vitality into the development of organic synthetic chemistry, and promoting research progress in new materials, catalysts and other fields.
What are the synthesis methods of Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate
To prepare Ethyl 3 - hydroxy - 6 - (trifluoromethyl) pyridine - 2 - carboxylate, follow the following ancient method.
First, use a pyridine derivative containing a specific substituent as the starting material. Choose a suitable pyridine substrate with a transformable group at the corresponding position, and it needs to be stable for subsequent reaction conditions. In a suitable reactor, add this pyridine derivative, and then add an appropriate amount of base, such as potassium carbonate or sodium carbonate, to create an alkaline environment. Subsequently, a trifluoromethyl-containing reagent, such as trifluoromethyl halide, is added dropwise. In this basic system, the halide undergoes a nucleophilic substitution reaction with the pyridine substrate, and trifluoromethyl is introduced at a specific position in the pyridine ring.
Second, after the successful introduction of trifluoromethyl, another position on the pyridine ring is hydroxylated. This step can be achieved by means of oxidation reaction. Select an appropriate oxidizing agent, such as hydrogen peroxide or m-chloroperoxybenzoic acid, and under mild reaction conditions, oxidize the specific carbon-hydrogen bonds on the pyridine ring to generate hydroxyl groups. During operation, the reaction temperature and time need to be carefully adjusted to prevent excessive oxidation.
Third, construct the structure of carboxyl ethyl ester. The product of the above two-step reaction is co-placed in a reaction vessel with ethanol and an appropriate amount of catalyst, such as concentrated sulfuric acid or p-toluenesulfonic acid, and heated for esterification. This reaction needs to be carried out under a reflux device to maintain a suitable temperature for the reaction system to promote the esterification of carboxylic acid and ethanol, so as to form a carboxyl ethyl ester structure at a specific position in the pyridine ring.
During the entire synthesis process, each step of the reaction needs to be separated and purified. Column chromatography, recrystallization and other means can be used to obtain high-purity Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate products. And the reaction conditions of each step need to be carefully controlled to improve the yield and purity of the product.
What are the physicochemical properties of Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate
Ethyl 3 - hydroxy - 6 - (trifluoromethyl) pyridine - 2 - carboxylate is an organic compound. Its physicochemical properties are crucial for many applications of this compound.
When it comes to appearance, this compound is often white to light yellow crystalline powder. Such appearance characteristics are quite meaningful for observation and preliminary identification. Because of its crystalline morphology, or suggesting an orderly arrangement of molecules, it affects its dissolution process in different solvents.
The melting point is of great significance for the identification and purification of this compound. Its melting point is about a specific range, and the specific value depends on the degree of purity. Precise melting point determination can judge the purity geometry of the compound and is also a key index for quality control.
In terms of solubility, Ethyl 3 - hydroxy - 6 - (trifluoromethyl) pyridine - 2 - carboxylate exhibits some solubility in organic solvents such as ethanol and acetone, but is difficult to dissolve in water. This property is an important consideration when separating, purifying and selecting chemical reaction media. The good solubility of organic solvents means that many reactions can be carried out in such media, and the subsequent separation of products is relatively convenient.
The compound is chemically active because it contains functional groups such as hydroxyl groups, ester groups and trifluoromethyl groups. Hydroxyl groups can participate in esterification, etherification and other reactions, and can react with acids to form corresponding esters, expanding its chemical derivation possibilities. Ester groups can be hydrolyzed under the catalysis of acids or bases to form corresponding carboxylic acids and alcohols. This hydrolysis reaction is common in organic synthesis and drug metabolism research. The strong electron absorption of trifluoromethyl groups affects the distribution of molecular electron clouds, enhances the stability of compounds, and also has a profound impact on their reactivity and biological activity.
Spectroscopic properties such as infrared spectroscopy and nuclear magnetic resonance can be used for structure confirmation. In infrared spectroscopy, hydroxyl groups, ester groups and other functional groups have unique absorption peaks, which help to determine the existence of functional groups. Nuclear magnetic resonance spectroscopy can reveal the chemical environments of different types of hydrogen and carbon atoms in molecules, providing key information for determining the molecular structure.
Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate in the market price range
I have not heard that there is a price of "Ethyl+3-hydroxy-6-%28trifluoromethyl%29pyridine-2-carboxylate" in the market, but if you want to measure the range of its price, you can think of all kinds of clues.
This compound has a unique chemical structure and contains groups such as trifluoromethyl and ethyl pyridine carboxylate. The synthesis method may be more complicated, and the materials used may be expensive. During synthesis, the price of the starting materials, reagents and catalysts used has a great impact on the final selling price. If the starting materials are rare and hard to find, the price will be high. For example, some pyridine derivatives with special substituents can cost tens of gold per gram, or even hundreds of gold.
The reaction conditions are also critical. If harsh temperature, pressure or inert gas protection is required, energy consumption and operating costs will increase significantly. If it needs to be reacted under high temperature and high pressure, the equipment input and energy consumption are large, the cost rises, and the product price is also high.
Its purity requirements also affect the price. If used in high-end fields such as medicine and electronics, extremely high purity is required, and the purification cost is high. Fine chemicals with a purity of more than 99% may be several times or even dozens of times higher than ordinary purity.
In addition, market supply and demand are also the main reasons. If there are many people who want it, but there are few products, the price will rise; if the supply exceeds the demand, the price may drop.
From a comprehensive perspective, if it is a "Ethyl+3-hydroxy-6-%28trifluoromethyl%29pyridine-2-carboxylate" of laboratory grade and ordinary purity, the price per gram may be between tens of yuan and hundreds of yuan; if it is a high purity and suitable for high-end industries, the price per gram may exceed 1,000 yuan, or even higher. However, these are all numbers, and the actual price still needs to be carefully inspected by the market and suppliers.
Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate safety precautions
Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate is an organic compound that is occasionally used in chemical and scientific research fields. When it comes to the safety precautions of this substance, it is necessary to be cautious.
Bear the brunt, this substance is chemically active. When operating, make sure to do it in a well-ventilated place, because harmful volatiles may escape and damage the human body. If operated in a confined space, toxic gases will accumulate, which may cause poisoning.
Furthermore, it may be irritating to the skin and eyes. When touching, be fully armed, wear protective clothing, protective gloves and goggles to prevent it from coming into contact with the skin and eyes. If you accidentally touch it, you should immediately rinse it with a lot of water and seek medical attention in time.
Repeat, Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate chemical properties or unstable, in case of open fire, hot topic or risk of combustion and explosion. Therefore, the storage place should be kept away from fire and heat sources, placed in a cool, dry and ventilated place, and should be stored separately from oxidants, acids, alkalis, etc., must not be mixed with storage, so as not to cause dangerous chemical reactions.
In addition, the personnel operating this thing must be professionally trained and familiar with the operation process and emergency treatment methods. During the experiment, operate in strict accordance with regulations, and do not act recklessly. If there is a leakage accident, people should be quickly evacuated to a safe area, cut off the fire source, emergency personnel need to wear gas masks and protective clothing, with sand, vermiculite and other inert materials to absorb the leakage, properly handled, must not let it flow into the environment, so as not to pollute the soil, water.
After all, the operation of Ethyl 3-hydroxy-6- (trifluoromethyl) pyridine-2-carboxylate, safety is the most important, must not be slack, in order to ensure the safety of personnel and the environment is not violated.