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What is the chemical structure of thiophene-3-carboxylate ethyl 4,5-dimethyl-2- {[4- (morpholin-4-ylsulfonyl) benzoyl] amino}?
This is the nomenclature of an organic compound. To clarify its chemical structure, it needs to be resolved according to the nomenclature. "Ethyl" is ethyl, indicating that the compound contains this group. "4,5-dimethyl" refers to the presence of dimethyl at specific positions (4 and 5 positions). "2 - {[4 - (morpholin - 4 - ylsulfonyl) benzoyl] amino}" indicates that a specific structure is connected at 2 positions, which contains a morpholine - 4 - ylsulfonyl-modified benzoamide. "Thiophene - 3 - carboxylate" means that the structure is based on thiophene - 3 - carboxylate.
According to this, the structural core of the compound is a thiophene ring, with a carboxylic acid ethyl group at the 3rd position, a methyl group at the 4th and 5th positions, and an amino group modified by a morpholine-4-yl sulfonyl group at the 2nd position. In this way, the parts are combined according to the naming rules to obtain the chemical structure of this compound. Its structure is complex, and it is cleverly connected by multi-part organic groups to form a unique chemical entity.
What are the main uses of ethyl 4,5-dimethyl-2- {[4- (morpholin-4-ylsulfonyl) benzoyl] amino} thiophene-3-carboxylate?
Ethyl 4,5 - dimethyl - 2 - {[4 - (morpholin - 4 - ylsulfonyl) benzoyl] amino} thiophene - 3 - carboxylate is also an organic compound. It is widely used in the field of medicinal chemistry and is often used as an intermediate for active pharmaceutical ingredients. Due to its unique molecular structure, it can be chemically modified and transformed to construct complex compounds with specific biological activities for the development of new drugs, such as therapeutic drugs targeting specific disease targets.
In the field of materials science, or can be used to prepare functional materials. Due to the characteristics of different groups in the molecule, it can endow materials with special physical and chemical properties, such as optical, electrical or thermal properties, and then be applied to optical materials and electronic components.
Furthermore, in the field of organic synthetic chemistry, as a key intermediate, it can participate in many complex organic reactions, assist in the synthesis of organic macromolecules with special structures and properties, and provide important basic raw materials and synthetic building blocks for the development of organic synthetic chemistry. In conclusion, ethyl 4, 5 - dimethyl - 2 - {[4 - (morpholin - 4 - ylsulfonyl) benzoyl] amino} thiophene - 3 - carboxylate has important uses in many scientific fields and plays an indispensable role in promoting the development of related fields.
What is the synthesis method of ethyl 4,5-dimethyl-2- {[4- (morpholin-4-ylsulfonyl) benzoyl] amino} thiophene-3-carboxylate?
The preparation of ethyl 4,5-dimethyl-2-thiophene-3-carboxylic acid esters is an important task in organic synthesis. The synthesis path can follow the following steps.
First, take 4- (morpholine-4-ylsulfonyl) benzoic acid as the starting material and combine it with an appropriate condensing agent, such as dicyclohexyl carbodiimide (DCC) or 1-ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride (EDCI), etc. in a suitable solvent, such as dichloromethane or N, N-dimethylformamide (DMF). In this mixed system, 4,5-dimethyl-2-aminothiophene-3-carboxylic acid ethyl ester is added, stirred and maintained at a certain temperature, which may be room temperature or raised to a moderate warm state as required by the reaction. The function of the condensing agent is to promote the condensation reaction between the carboxyl group of benzoic acid and the amino group of thiophene ethyl ester to form the key amide bond of the target product.
Furthermore, the reaction process needs to be monitored by means of thin layer chromatography (TLC) or high performance liquid chromatography (HPLC) to clarify the reaction process. When the reaction reaches the expected level, the reaction is terminated. Thereafter, separation and purification are performed. A suitable eluent, such as a mixture of petroleum ether and ethyl acetate in a certain proportion, can be selected by column chromatography with silica gel as the stationary phase to separate the product from impurities. The eluent containing the product is collected and distilled under reduced pressure to remove the solvent, and then the crude product is obtained.
Finally, the crude product is recrystallized, and a suitable solvent is selected, such as ethanol, methanol or a mixed solvent of both with water. The product is further purified to obtain pure ethyl 4,5-dimethyl-2 - {[4 - (morpholine-4-ylsulfonyl) benzoyl] amino} thiophene-3-carboxylate. Thus, according to the above method of synthesis, the target compound can be obtained.
What are the physicochemical properties of ethyl 4,5-dimethyl-2- {[4- (morpholin-4-ylsulfonyl) benzoyl] amino} thiophene-3-carboxylate?
Ethyl 4,5 - dimethyl - 2 - {[4 - (morpholin - 4 - ylsulfonyl) benzoyl] amino} thiophene - 3 - carboxylate is an organic compound with specific physical and chemical properties. Its properties are mostly solid, and it has a certain crystalline morphology and appearance due to the arrangement and interaction of atoms in the molecule.
When it comes to the melting point, the melting point of this compound depends on the intermolecular forces, such as hydrogen bonds, van der Waals forces, etc. Molecules contain polar groups, such as amino groups, carbonyl groups and sulfonyl groups, which can enhance the interaction between molecules and cause relatively high melting points. However, the exact melting point needs to be accurately determined by experiments, and factors such as impurities and crystallization conditions will affect it.
In terms of solubility, the molecules have different solubility in organic solvents because they contain polar and non-polar parts. Polar organic solvents, such as ethanol and acetone, have better solubility due to the formation of hydrogen bonds or dipole-dipole interactions with the polar groups of compounds; in non-polar solvents, such as n-hexane, the solubility is poor, because the non-polar parts are difficult to interact effectively with non-polar solvent molecules.
In terms of stability, the compound is relatively stable under conventional conditions. However, in case of extreme conditions such as strong acid, strong base or high temperature, the molecular structure will be affected. For example, in a strong acid environment, amino groups may protonate, causing molecular charge distribution to change, affecting their chemical properties; strong bases may initiate hydrolysis of ester groups, causing molecular structure to be damaged. High temperatures may cause the vibration of intramolecular chemical bonds to intensify, and when the chemical bonds reach a certain degree, the chemical bonds will break and decompose.
The physicochemical properties of this compound are of great significance for its application in organic synthesis, drug development and other fields. Understanding its melting point, solubility and stability allows researchers to better design experiments, optimize reaction conditions, and achieve efficient preparation and application of the compound.
What are the safety precautions for ethyl 4,5-dimethyl-2- {[4- (morpholin-4-ylsulfonyl) benzoyl] amino} thiophene-3-carboxylate?
Ethyl 4,5 - dimethyl - 2 - {[4 - (morpholin - 4 - ylsulfonyl) benzoyl] amino} thiophene - 3 - carboxylate is an organic compound. When using and handling, it is necessary to pay attention to many safety precautions.
First of all, this compound may be toxic. The route of contact may be inhalation, skin contact and swallowing. During operation, appropriate protective equipment, such as laboratory clothes, gloves and protective glasses, must be worn to prevent skin-to-eye contact. In case of accidental contact with the skin, rinse immediately with plenty of water and seek medical treatment according to the specific situation; in case of contact with the eyes, rinse immediately with plenty of water and seek medical attention as soon as possible.
Secondly, in view of its chemical properties, it may be flammable. When storing, it should be kept away from fire and heat sources, and stored in a cool and well-ventilated place. During operation, static electricity should also be avoided to prevent fire.
Furthermore, the compound may be active in chemical reactions. When using, it is necessary to strictly follow the established experimental procedures and operating procedures to prevent accidental reactions. At the same time, it is necessary to pay attention to its compatibility with other chemicals and avoid improper mixing.
Repeat, when discarded, it must not be discarded at will. Proper disposal should be carried out in accordance with local regulations and laboratory regulations to prevent pollution to the environment.
Finally, the place where this compound is handled should be equipped with complete ventilation facilities to reduce the concentration in the air and reduce the risk of inhalation. Staff should also be aware of first aid procedures and emergency measures so that they can respond quickly in an emergency.