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What is the chemical structure of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4, 5-dimethylthiophene-3-carboxylate?
You are inquiring about "ethyl + 2 - [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] - 4,5 - dimethylthiophene - 3 - carboxylate", which is the English name of an organic compound. To clarify its chemical structure, it is necessary to analyze it according to the naming rules.
"ethyl", ethyl is also a common alkyl group, with the structural abbreviation -CH ² CH. " 2 - [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] "part," 1,3 - benzodioxol - 5 - yl "Table 1,3 - benzodioxol - 5 - yl, its core is a benzene ring fused with dioxane ring structure;" carbonyl "is carbonyl (- CO -); these two are connected and then connected with amino (- NH -) to form one part of the amide structure." In 4,5-dimethylthiophene-3-carboxylate "," thiophene "is a thiophene ring," 4,5-dimethyl "indicates that the 4th and 5th positions of the thiophene ring are connected to a methyl group (-CH 🥰), and" 3-carboxylate "refers to the ester group structure with a carboxyl group at the 3rd position of the thiophene ring.
In summary, the structural core of this compound is a thiophene ring, with methyl groups at the 4th and 5th positions, an ester group formed by carboxyl and ethanol at the 3rd position, and an amide group containing 1,3-benzodioxane-5-yl carbonyl at the 2nd position. Its chemical structure is roughly like this.
What are the main uses of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4, 5-dimethylthiophene-3-carboxylate?
Ethyl 2 - [ (1, 3 - benzodioxol - 5 - ylcarbonyl) amino] -4, 5 - dimethylthiophene - 3 - carboxylate is an organic compound with a wide range of uses.
In the field of pharmaceutical chemistry, this compound is often used as a key intermediate. The structure of 1,3 - benzodioxane - 5 - carbonyl and thiophene carboxylate gives it unique biological activity and reactive properties. Or it can participate in a series of chemical reactions to construct more complex molecular structures with specific pharmacological activities, and then lay the foundation for the development of new drugs. For example, after modification and modification, it may be used to synthesize drugs with antibacterial, anti-inflammatory or anti-tumor activities.
In the field of materials science, such compounds containing specific functional groups may exhibit unique optoelectronic properties. Thiophene structural units are widely used in the field of organic optoelectronic materials, which are combined with benzodioxypentyl carbonyl to give the compound specific optical absorption and emission properties, or can be applied to organic optoelectronic devices such as organic Light Emitting Diodes (OLEDs) and solar cells to help improve material properties and efficiency.
In the field of organic synthetic chemistry, ethyl 2 - [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] -4, 5 - dimethylthiophene - 3 - carboxylate is an important synthetic building block. Through various reactions triggered by its different functional groups, such as nucleophilic substitution, electrophilic addition, etc., chemists can use this to construct diverse and complex organic molecular structures, enrich the variety of organic compounds, and contribute to the development of organic synthetic chemistry.
What are the synthesis methods of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4, 5-dimethylthiophene-3-carboxylate?
Ethyl 2- [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] -4, 5 - dimethylthiophene - 3 - carboxylate is an organic compound, and its synthesis method is as follows:
The starting material is selected from 1,3 - benzodioxol - 5 - carboxylate and appropriate amination reagents, in a suitable reaction vessel, with suitable catalysts and reaction conditions, to promote the condensation reaction of the two to generate the corresponding amide intermediate. In this process, the reaction temperature, time and ratio of reactants need to be precisely controlled to ensure that the reaction is sufficient and the side reactions are minimized.
Meanwhile, 2-bromo-4,5-dimethylthiophene-3-carboxylic acid ethyl ester is used as another key raw material for specific functional group transformation. Mix it with the above-mentioned amide intermediates in a specific reaction system, and with the help of a base and a phase transfer catalyst, the nucleophilic substitution reaction occurs between the two. During this period, the reaction process needs to be closely monitored, and the reaction parameters need to be fine-tuned according to the reaction situation to ensure the formation of the target product. After the
reaction is completed, the reaction mixture is treated by conventional separation and purification methods, such as column chromatography, recrystallization, etc., to obtain high-purity ethyl 2- [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] -4, 5 - dimethylthiophene - 3 - carboxylate products. During the operation, the experimental specifications must be strictly followed to ensure the quality and yield of the product.
What are the physicochemical properties of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4, 5-dimethylthiophene-3-carboxylate?
Ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4, 5-dimethylthiophene-3-carboxylate, is an organic compound. Its physical and chemical properties are as follows:
Looking at its morphology, under room temperature and pressure, it is mostly a solid state. However, the exact state may vary depending on the purity and crystallization conditions.
On its melting point, this is one of the important parameters for identifying compounds. Although the exact melting point value is not detailed, different preparation methods, purity and other factors can cause the melting point to fluctuate.
In terms of solubility, it may exhibit different solubility characteristics in organic solvents. Common organic solvents such as ethanol, acetone, dichloromethane, etc., may have certain solubility. In ethanol, or due to intermolecular forces, it is partially soluble and can form a homogeneous solution. Because the structure of the compound contains polar groups, it interacts with the polarity of ethanol. In dichloromethane, due to its non-polar environment, the solubility of the compound may also be affected by the hydrophobic part of the molecular structure, and there is a certain degree of dissolution.
As for its chemical stability, the groups such as benzodioxane and thiophene in the structure give it unique chemical properties. The benzodioxane part is relatively stable, but under strong oxidation or strong reduction conditions, it may also react. Although the thiophene ring has certain aromatic properties, its electron cloud distribution is different from that of the benzene ring. Under certain conditions, reactions such as electrophilic substitution may occur. Its ester group is easily hydrolyzed in case of strong acid or strong base. Under acidic conditions, it hydrolyzes to form corresponding carboxylic acids and alcohols; under alkaline conditions, it hydrolyzes more rapidly to form carboxylic salts and alcohols. The amide bond part may also be hydrolyzed in high temperature, strong acid or strong base environment, and breaks to form corresponding amines and carboxylic acids.
What is the price range of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4, 5-dimethylthiophene-3-carboxylate in the market?
I don't know the price range of "ethyl + 2 - [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] -4,5 - dimethylthiophene - 3 - carboxylate" in the market. This is a rather professional chemical substance, and its price is affected by many factors.
First, the purity has a great impact. If the purity is very high, it can be used for high-end scientific research experiments, and the price is high; if the purity is slightly lower, it is only suitable for general industrial use, and the price is slightly lower.
Second, the yield is also the key. If the preparation process of this product is complicated and the output is rare, the so-called "rare is expensive", the price will be high; if the preparation process is relatively simple, the output will be considerable, and the price will be close to the people.
Third, market demand also affects its price. If there is strong demand for this product in many industries and limited supply, the price will rise; if there is little demand and sufficient supply, the price may fall.
Fourth, supplier differences also lead to different prices. Different suppliers have different cost structures and different pricing strategies, so prices may fluctuate.
However, I have not found detailed information on the exact price range, so it is difficult to answer accurately. For more information, please consult chemical product suppliers, relevant chemical trading platforms, or industry professionals, who may be able to provide more accurate price information.