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What is the chemical structure of Ethyl 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4-methyl-5-Thiazolecarboxylate
Ethyl+2-%5B3-cyano-4-%282-methylpropoxy%29phenyl%5D-4-methyl-5-Thiazolecarboxylate is the English name of an organic compound, which corresponds to the Chinese name 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4-methyl-5-thiazolecarboxylate ethyl ester. The following is to explain its chemical structure in the classical Chinese style of "Tiangong Kaiwu":
In this compound, the structure of "thiazole" is like a delicate ring, which contains sulfur and nitrogen atoms. The two are cleverly coordinated to form the base of a five-membered heterocycle. 4-methyl, that is, at the 4th position of the thiazole ring, is connected with a methyl group. This methyl group is a simple hydrocarbon structure, with only one carbon atom connected to three hydrogen atoms, like adding a tiny branch to the ring.
"2- [3-cyano-4- (2-methylpropoxy) phenyl]" part, the phenyl group is a six-membered carbon ring, with aromatic properties, like a stable framework. For the 3-cyano group, there is a -CN group connected to the 3-position of the benzene ring, and the carbon and nitrogen in the cyanyl group are connected by triple bonds, which has high chemical activity. 4- (2-methylpropoxy), which is connected to a 2-methylpropoxy group at the 4th position of the benzene ring. This oxygen group is formed by connecting an oxygen atom to 2-methylpropyl group. 2-methylpropyl is an alkyl structure containing branched chains. One end is connected to oxygen and the other end is connected to the benzene ring, which makes the molecular structure more complicated.
As for "ethyl 5-thiazolecarboxylate", that is, at the 5th position of the thiazole ring, a formate ethyl group is connected. This group is esterified from formic acid and ethanol. The structure of the ethyl ester group contains carbonyl and ethoxy, which gives the whole compound unique chemical properties and reactivity. In this way, the structure of each part is interconnected to form the overall chemical structure of the Ethyl+2-%5B3-cyano-4-%282-methylpropoxy%29phenyl%5D-4-methyl-5-Thiazolecarboxylate, which is complex and delicate, and the mutual influence of each part determines its various manifestations in chemical reactions.
What are the main uses of Ethyl 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4-methyl-5-Thiazolecarboxylate
Ethyl+2-%5B3-cyano-4-%282-methylpropoxy%29phenyl%5D-4-methyl-5-Thiazolecarboxylate, this is the name of an organic compound, usually referred to as the key intermediate of ezetimibe. Its use is quite extensive and of great significance in the field of medicine.
Bearing the brunt, this compound is an important intermediate for the synthesis of ezetimibe. Ezetimibe is a drug that regulates blood lipids, can selectively inhibit the absorption of intestinal cholesterol, reduce plasma cholesterol levels, and has a significant effect on the prevention and treatment of cardiovascular diseases. During the synthesis of ezetimibe, the intermediate has a specific structure and reactivity, which plays a key role in the construction of the molecular structure of ezetimibe, helping to achieve the total synthesis of ezetimibe and providing a key starting material for the preparation of this drug in the pharmaceutical industry.
Furthermore, it is also of great value in the field of organic synthesis chemistry research. Due to its unique structure, it contains various functional groups such as cyanide group, alkoxy group, thiazole ring and ester group, and can be used as a model compound for researchers to explore various organic reaction mechanisms, such as nucleophilic substitution, cyclization reaction, etc. By studying the reactions involved in this compound, the reaction conditions can be optimized, new synthesis paths can be explored, and the progress of organic synthesis methodology can be promoted, laying the foundation for the creation of more organic compounds with novel structures and excellent properties.
In addition, in the field of drug development, in-depth research on this compound may be carried out, and its potential biological activity can be tapped. Scientists can modify and modify its structure, design and synthesize a series of derivatives, screen for biological activity, or discover lead compounds with novel pharmacological effects, providing direction and possibility for the development of new drugs, thereby enriching drug types and meeting the needs of clinical treatment of different diseases.
What is the synthesis method of Ethyl 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4-methyl-5-Thiazolecarboxylate
The preparation of ethyl 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4-methyl-5-thiazole carboxylic acid ester can be done according to the following steps.
First, all raw materials need to be prepared, which should be phenyl compounds containing cyanyl groups and specific alkoxy groups, thiazole carboxylic acid ester precursors containing methyl groups, and suitable reagents and solvents.
First, the cyanyl-containing phenyl compound is reacted with halo-2-methylpropane in a suitable solvent under the catalysis of a base to obtain 3-cyano-4- (2-methylpropoxy) phenyl derivatives. This step requires appropriate temperature control and the reaction time must be determined to ensure sufficient reaction.
Then, the resulting 3-cyano-4- (2-methylpropoxy) phenyl derivative is reacted with the 4-methyl-5-thiazole carboxylate precursor in the presence of a specific catalyst in another solvent system. During the reaction, temperature and the ratio of reactants are all key factors, and careful regulation is required to enable the smooth condensation of the two to produce the target product ethyl 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4 -methyl-5-thiazole carboxylate.
After the reaction is completed, the product needs to be separated and purified. The product can be separated from the reaction system by extraction first, followed by column chromatography or recrystallization to further purify the product to obtain high-purity ethyl 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4 -methyl-5-thiazole carboxylate. The entire synthesis process, the precise control of the reaction conditions at each step, and the quality of raw materials and reagents are all related to the yield and purity of the product, and fine operation is required to achieve the desired synthetic effect.
What are the physical properties of Ethyl 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4-methyl-5-Thiazolecarboxylate
Ethyl+2-%5B3-cyano-4-%282-methylpropoxy%29phenyl%5D-4-methyl-5-Thiazolecarboxylate, this is an organic compound with unique physical properties.
Looking at its properties, it is mostly white to quasi-white crystalline powder under normal conditions, which is determined by its intermolecular forces and arrangement. Its powder appearance is conducive to dispersion and reaction, and in many chemical and pharmaceutical processes, it is easy to mix evenly and improve the reaction efficiency.
When it comes to melting point, it is about a certain temperature range. This temperature characteristic is critical for its identification and purity determination. When heated to this temperature range, the compound gradually melts from the solid state to the liquid state. This melting point range is affected by the interaction of each atom and group in the molecular structure. The electronic effect and steric resistance of groups such as cyano and methoxy groups all regulate the melting point.
In terms of solubility, it shows different solubility in organic solvents. In halogenated hydrocarbon solvents such as dichloromethane and chloroform, it has good solubility, because the halogenated hydrocarbon and the compound molecules can form suitable intermolecular forces, such as van der Waals force and dipole-dipole interaction, to promote the dissolution process. In water, the solubility is poor, because the molecular structure of this compound is highly hydrophobic as a whole, and it is difficult to form an effective interaction with water molecules. The polarity of water cannot overcome the intermolecular forces of the compound, resulting in its insolubility.
In addition, its density is also a specific value, reflecting the degree of tight packing of molecules. This density characteristic is of great significance when it comes to process operations such as material measurement, separation and mixing. Knowing its density can accurately control the amount and proportion of materials, ensuring the stability of the production process and the uniformity of product quality. The physical properties of Ethyl+2-%5B3-cyano-4-%282-methylpropoxy%29phenyl%5D-4-methyl-5-Thiazolecarboxylate, such as properties, melting point, solubility and density, are determined by molecular structure, and play an indispensable role in process design and product quality control in chemical, pharmaceutical and other fields.
Ethyl 2- [3-cyano-4- (2-methylpropoxy) phenyl] -4-methyl-5-Thiazolecarboxylate
Ethyl 2 - [3 - cyano - 4 - (2 - methylpropoxy) phenyl] -4 - methyl - 5 - Thiazolecarboxylate is one of the organic compounds. The consideration of its market prospects is related to many factors.
From the perspective of the pharmaceutical field, such compounds may have unique pharmacological activities. In the past, many organic compounds have been found to act on specific biological targets after in-depth investigation, and then developed into new drugs. If this compound can demonstrate effective effects on certain disease-related targets, such as anti-tumor, anti-inflammatory activities, it will definitely gain a place in the pharmaceutical market. However, the road to the development of new drugs is full of thorns, which requires strict experimental verification, from cell experiments, animal experiments, to clinical trials, which takes a long time and costs a lot.
In the field of pesticides, it may have potential insecticidal and bactericidal properties. Ancient agriculture, in order to ensure a bumper crop, often relied on various pesticides. If this compound has significant control effect on common crop diseases and pests, and compared with existing pesticides, it has advantages such as high efficiency, low toxicity, and environmental friendliness, it will definitely be favored by the market. However, the pesticide market is highly competitive, and it needs to pass strict registration and approval to prove its safety and effectiveness.
Furthermore, the chemical raw material market is also its potential. As an intermediate for the synthesis of other complex compounds, if it can rely on its unique structure to help synthesize high-value-added products, its demand may grow steadily. However, the chemical industry has strict requirements on product quality and supply stability, and needs to build a stable production system.
In summary, Ethyl 2 - [3 - cyano - 4 - (2 - methylpropoxy) phenyl] -4 - methyl - 5 - Thiazolecarboxylate Although there are development opportunities in the fields of medicine, pesticides, and chemical raw materials, it is still necessary to overcome many difficulties in research and development, approval, and production. Although the prospect is promising, the road is bumpy.