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What is the chemical structure of ethyl 2-ethoxy-4-methyl-5-thiazole carboxylate (9CI)?
The chemical structure of 9-chloro-2-hydroxy-4-methyl-5-nitrobenzoate ethyl ester is related to the subtlety of organic chemistry. Its structure can be inferred from the connection between functional groups and atoms.
The first word "9-chloro" indicates that a chlorine atom is attached to a specific position in the molecular structure. Chlorine atoms, halogen elements, have high electronegativity and have a great impact on the properties of molecules, which can affect molecular polarity and reactivity.
"2-hydroxyl" indicates that the hydroxyl group (OH) is attached to the No. 2 position of the molecule. Hydroxyl groups are hydrophilic functional groups and can participate in the formation of hydrogen bonds, affecting the solubility and acidity of compounds.
"4-methyl", that is, methyl (-CH <) is at position 4. Methyl is a power supply group, which can change the distribution of molecular electron clouds and affect its chemical activity.
"5-nitro" means that nitro (-NO <) is at position 5. Nitro has strong electron absorption, which reduces the electron cloud density of the benzene ring, decreases the electrophilic substitution activity of the benzene ring, and affects the stability and oxidation of the molecule.
"Ethyl benzoate", which reveals that the main structure of the molecule is an ester formed by benzoic acid and ethanol. The part of benzoic acid contains benzene ring and carboxyl group. The benzene ring has a conjugated system, which endows the molecule with certain stability and special reactivity. The carboxyl group is linked to ethanol through esterification to form an ester group (-COOCH ³ CH 😉). The existence of ester groups gives the molecule unique physical and chemical properties, such as relatively low polarity, and hydrolysis can occur under basic conditions.
In summary, the chemical structure of 9-chloro-2-hydroxy-4-methyl-5-nitrobenzoate ethyl ester is composed of benzene ring as the core, and is connected with chlorine, hydroxyl, methyl, nitro and other functional groups, and the carboxyl group forms an ester with ethanol. Each functional group affects each other and jointly determines the unique properties and reactivity of the compound.
What are the physical properties of ethyl 2-ethoxy-4-methyl-5-thiazole carboxylate (9CI)?
The 2-hydroxy-4-methyl-5-nitrobenzoate ethyl ester referred to by 9CI is an important member in the field of organic compounds. The properties of this substance are mostly crystalline at room temperature, or white fine crystals, with a pure texture and a certain luster appearance.
Its melting point is within a specific range, and it may fluctuate slightly due to factors such as purity, but it is roughly within a certain range. This property is of great significance for the identification and purification of compounds, and can provide a key reference for judging purity. In terms of solubility, it exhibits a certain solubility in common organic solvents such as ethanol and ether, and has relatively better solubility in polar organic solvents, but little solubility in water. This is due to the comprehensive action of polar groups and non-polar parts in the molecular structure.
In terms of stability, it is relatively stable at room temperature and pressure without special chemical environment interference. However, in case of strong acids and strong bases, functional groups such as ester groups, hydroxyl groups, and nitro groups in the structure are prone to chemical reactions or structural changes. In case of strong bases, ester groups are hydrolyzed to form carboxylic salts and alcohols; in case of strong oxidants, nitro groups containing nitrogen may be oxidized to change the chemical properties.
Volatility, due to its relative molecular mass and intermolecular forces, volatility is weak. Under normal temperature and environmental conditions, it is difficult to evaporate a large amount into the air. During storage and use, this characteristic ensures the retention of its active ingredients and reduces the risk of loss due to volatilization.
In terms of density, it has a specific value, which is usually larger than water. When it comes to mixing systems or separation operations, the density difference becomes an important separation basis, and it can be separated from other substances with different densities by means of density difference. These physical properties are crucial for their application in chemical synthesis, drug development, material preparation and other fields, laying the foundation for the rational use of this compound.
What are the main uses of ethyl 2-ethoxy-4-methyl-5-thiazole carboxylate (9CI)?
9-Hydroxy-4-methyl-5-nonenoic acid ethyl ester (9CI) is a key raw material for organic synthesis and has a wide range of uses in many fields.
In the field of medicinal chemistry, it can be used as an intermediate for the synthesis of specific drugs. Due to its unique chemical structure and activity, the compound can be chemically modified and reacted to construct complex molecular structures with specific pharmacological activities. For example, specific functional groups may be introduced through further reactions to meet the needs of specific disease targets, helping to develop new therapeutic drugs, which may have potential applications in the treatment of cardiovascular diseases, cancer, etc.
In the fragrance industry, 9-hydroxy-4-methyl-5-nonenoic acid ethyl ester (9CI) may produce a unique aroma due to its own chemical structure. It can be used as an important ingredient in fragrance blending to add unique flavor to flavors. When blending a variety of flavors such as floral, fruity-floral complex, it may play a key role in enhancing the layering and uniqueness of flavors, and is widely used in the production of perfumes, cosmetics, air fresheners and other products.
In the field of materials science, this compound may participate in the preparation of materials with specific properties. For example, by polymerizing with other monomers, its structural units can be introduced into the polymer chain to impart specific physical and chemical properties to the material, such as improving the solubility, flexibility, biocompatibility, etc., thereby expanding the application of the material in different scenarios, such as biomedical materials, polymer packaging materials and other fields.
In summary, 9-hydroxy-4-methyl-5-nonenoic acid ethyl ester (9CI) plays an important role in the fields of medicine, fragrances, materials and other fields by virtue of its unique chemical structure, and promotes the development and innovation of technologies in various fields.
What are the methods for preparing ethyl 2-ethoxy-4-methyl-5-thiazole carboxylate (9CI)?
The methods for preparing 2-hydroxy-4-methyl-5-nitrobenzoate ethyl ester (9CI) vary widely, and the common ones are as follows:
First, starting with 4-methyl-5-nitrosalicylic acid, it is co-heated with ethanol under acid catalysis to carry out esterification. Among them, acid can be used as a catalyst to accelerate the esterification process. If sulfuric acid is used as a catalyst, at an appropriate temperature, sulfuric acid can promote the dehydration and condensation of the carboxyl group of 4-methyl-5-nitrosalicylic acid and the hydroxyl group of ethanol to form the target product 2-hydroxy-4-methyl-5-nitrobenzoate ethyl ester. After the reaction is completed, the pure product can be obtained through neutralization, extraction, distillation and other steps.
Second, first prepare 2-halo-4-methyl-5-nitrobenzoate ethyl ester, and then replace the halogen atom with a hydroxyl group with a suitable reagent. For example, first halogenate 4-methyl-5-nitrobenzoate ethyl ester, introduce halogen atoms, and then treat it with alkaline reagents such as sodium hydroxide. The halogen atoms are replaced by hydroxyl groups to obtain 2-hydroxy-4-methyl-5-nitrobenzoate ethyl ester. Subsequent operations also need to be separated and purified to obtain pure products.
Third, with suitable substituted benzene as raw material, the target molecular structure is constructed through multiple steps of reaction. For example, a specific substituted benzene is selected, the nitro group is first introduced, followed by methylation, carboxylation and other reactions, and the 4-methyl-5-nitrobenzoic acid structure is gradually constructed. Finally, it is esterified with ethanol and introduced into a hydroxyl group. After multiple steps of reaction and separation and purification of each step, the final 2-hydroxy-4-methyl-5-nitrobenzoate ethyl ester is obtained.
What are the precautions for the use of 2-ethoxy-4-methyl-5-thiazole carboxylate (9CI)?
9CI of 2-Hydroxy-4-methyl-5-formylbenzoate ethyl ester, is a special chemical substance. During use, many matters need to be paid attention to.
First safety protection. Because it has certain chemical activity, or potential harm to the human body. When in contact, be sure to wear appropriate protective equipment, such as gloves, goggles, protective clothing, etc., to prevent it from touching the skin and eyes. If inadvertent contact, rinse with plenty of water immediately and seek medical attention as appropriate. The operation should be carried out in a well-ventilated place or in a fume hood to avoid inhalation of its volatile gases to prevent damage to the respiratory tract.
Times and storage conditions. It should be stored in a cool, dry and ventilated place, away from fire and heat sources, because it may be flammable or thermally unstable. And it should be stored separately from oxidizing agents, reducing agents, acids, alkalis, etc., to avoid dangerous chemical reactions. The storage container should be well sealed to prevent it from deteriorating due to its interaction with air and moisture.
Furthermore, it is the norm for use. Before use, read the relevant materials carefully to clarify its chemical properties and reaction characteristics. The operation process should strictly follow the established operating procedures and control the reaction conditions, such as temperature, pressure, reaction time, etc. If it is used for synthetic reactions, it is necessary to precisely control its dosage and calculate and add it according to the reaction equation and the expected product amount, so as not to affect the reaction process and product purity.
At the same time, after use, the disposal of remaining substances and waste cannot be ignored. It should not be dumped at will, but should be properly disposed of in accordance with relevant environmental protection regulations to prevent pollution to the environment. For waste liquids and residues containing this substance, they need to be collected by classification and handed over to professional institutions for treatment.