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What is the chemical structure of ethyl 4- (propan-2-yl) -1, 3-thiazole-2-carboxylate
This is the chemical structure involved in the chemical name "ethyl 4- (isopropyl) -1,3-thiazole-2-carboxylic acid ester". In this name, "ethyl" refers to an alkyl group containing two carbon atoms, expressed as "-C ² H", attached to a specific position in the molecular backbone. In "4- (isopropyl) ", isopropyl is a branched alkyl group with a structure of "-CH (CH 🥰) -2", connected to the 4th position of the thiazole ring. The thiazole ring is a five-membered heterocyclic ring containing sulfur and nitrogen, composed of two carbon atoms, one nitrogen atom and one sulfur atom, with specific electron cloud distribution and chemical activity. "1,3-thiazole-2-carboxylate" indicates that there is a carboxylic acid ester group attached to the thiazole ring at position 2. This carboxylic acid ester group has the structure of "-COOCH ² CH", that is, the ester group structure obtained by the esterification reaction of carboxylic groups with ethanol. In summary, the chemical structure of ethyl 4- (isopropyl) -1,3-thiazole-2-carboxylic acid ester is composed of ethyl, isopropyl, thiazole ring and ethyl carboxylate group at position 2, and the parts are connected by covalent bonds, which jointly determine the chemical and physical properties of the compound.
What are the main uses of ethyl 4- (propan-2-yl) -1, 3-thiazole-2-carboxylate
Ethyl 4- (propan - 2 - yl) -1,3 - thiazole - 2 - carboxylate, Chinese name ethyl 4- (isopropyl) -1,3 - thiazole - 2 - carboxylate, this is an organic compound. Its main uses are as follows:
First, in the field of pharmaceutical chemistry, it can be used as a key pharmaceutical intermediate. The synthesis of many drugs relies on such compounds, because their thiazole ring structure gives unique biological activity and pharmacological properties. Through chemical modification and transformation, drug molecules with specific therapeutic effects can be constructed. For example, in the development and preparation of some antibacterial drugs and anti-inflammatory drugs, ethyl 4- (propan-2-yl) -1,3-thiazole-2-carboxylate can act as a starting material or an important structural fragment, laying the foundation for drug creation.
Second, it also plays an important role in the field of pesticides. It can be used as a key component in the synthesis of new pesticides, and through rational design and reaction, pesticide products with efficient pest control effects can be prepared. Due to its structural characteristics, it may play a role in the physiological mechanisms of specific pests, such as interfering with the nervous system of pests and hindering their growth and development, etc., thereby achieving good insecticidal effects, and is relatively friendly to the environment, which is in line with the needs of modern pesticide development.
Thirdly, in organic synthetic chemistry, ethyl 4- (propan-2-yl) -1,3-thiazole-2-carboxylate is an extremely useful synthetic block. With its active functional groups, it can react with many organic reagents to realize the construction of carbon-carbon bonds and carbon-heteroatomic bonds, which are used to synthesize organic compounds with more complex and diverse structures, providing an important material basis for organic synthesis chemists to explore new reaction paths and compound structures.
What is the synthesis method of ethyl 4- (propan-2-yl) -1, 3-thiazole-2-carboxylate
To prepare ethyl 4- (isopropyl) -1,3-thiazole-2-carboxylic acid ester, the method is as follows.
First, appropriate starting materials are taken, and the construction of thiazole rings is the main thing. Usually, compounds containing sulfur and nitrogen are reacted with carbonyl compounds with suitable substituents. For example, carbonyl compounds such as ethyl acetoacetate are co-reacted with thiourea under suitable conditions. This reaction requires temperature control, time control, and a specific solvent as the medium, such as alcohol solvents such as ethanol, can help the reaction proceed smoothly. During the reaction of
, the nitrogen and sulfur atoms in thiourea react with the carbonyl group and α-carbon of the carbonyl compound through nucleophilic addition and cyclization, and gradually construct the thiazole ring structure. After the thiazole ring is initially formed, the isopropyl group is introduced. The isopropyl group can be attached to the 4-position of the thiazole ring by a suitable halogenated isopropyl reagent and catalyzed by a base.
Finally, the esterification reaction is carried out to form the target product. Take the above product, react with ethanol and suitable esterification reagents, such as concentrated sulfuric acid as catalysts, or with condensing agents such as dicyclohexyl carbodiimide (DCC), at a suitable temperature, to convert the carboxylic acid into ethyl ester, to obtain ethyl 4- (isopropyl) -1,3-thiazole-2-carboxylic acid ester. The whole process requires fine operation, and attention should be paid to the regulation of the reaction conditions at each step to increase the yield and purity of the product.
What are the physical properties of ethyl 4- (propan-2-yl) -1, 3-thiazole-2-carboxylate
Ethyl 4- (propan-2-yl) -1,3-thiazole-2-carboxylate, the Chinese name can be called 4- (isopropyl) -1,3-thiazole-2-carboxylic acid ethyl ester. This compound is an organic compound with unique physical properties.
Its appearance is often colorless to light yellow liquid or crystalline solid. This property is caused by the arrangement and interaction of atoms in the molecular structure. Due to the difference in intermolecular forces, it can show different aggregation states under different conditions.
From the point of melting, the molecule contains structures such as ester groups and thiazole rings, forming specific intermolecular forces. The carbonyl group and alkoxy group in the ester group make the molecule have a dipole-dipole interaction, and the conjugate structure of the thiazole ring also affects the intermolecular force, so its melting point is about [X] ℃, and the boiling point is about [X] ℃. The specific value is determined according to the experiment.
In terms of solubility, it is slightly soluble in water, because water is a solvent with strong polarity. Although the ester group in this compound has a certain polarity, the isopropyl group and thiazole ring generally make the molecular polarity limited, and the intermolecular force formed with water is weak, making it difficult to dissolve in water. However, it is easily soluble in common organic solvents, such as ethanol, ether, chloroform, etc., because these organic solvents can form similar intermolecular forces between the molecules of the compound, which conforms to the principle of "similar phase dissolution".
In terms of density, its density is about [X] g/cm ³, which depends on the molecular mass and the degree of intermolecular packing. The molecular structure determines the mass and spatial arrangement, which in turn determines the density value.
ethyl 4- (propan-2-yl) -1, these physical properties of 3-thiazole-2-carboxylate are determined by their specific molecular structure. In the fields of organic synthesis, medicinal chemistry, etc., it is of great significance for their separation, purification, and control of reaction conditions.
What is the price range of ethyl 4- (propan-2-yl) -1,3-thiazole-2-carboxylate in the market?
I haven't heard of the exact price range of "ethyl + 4 - (propan - 2 - yl) - 1,3 - thiazole - 2 - carboxylate" on the market. This is a fine chemical, and its price often varies due to purity, output, market supply and demand, and manufacturer differences.
If you want a high-purity product, it is suitable for scientific research and other purposes. Due to the complicated preparation process and high purification requirements, its price must be high. If the purity is slightly lower, it is used in general industrial synthesis, and the price may be slightly reduced.
However, if you want to know the details, you can find it on the chemical raw material trading platform, such as Gade Chemical Network, etc., looking at the quotations of various companies, you can get a rough idea. You can also contact the relevant chemical raw material suppliers to inquire about their latest quotations. Or refer to the past trading records of similar compounds to estimate the price range according to market fluctuations. Unfortunately, I do not have real-time data, so I cannot determine the price range.