Chemical Name | ethyl 2-{[2-methoxy-5-(pyrrolidin-1-ylsulfonyl)benzoyl]amino}-4,5-dimethylthiophene-3-carboxylate |
Molecular Formula | C22H28N2O6S2 |
Molecular Weight | 480.6 g/mol |
Appearance | Solid (predicted, based on similar compounds) |
Solubility | Poorly soluble in water, likely soluble in organic solvents like dichloromethane, chloroform (predicted) |
Boiling Point | Decomposes before boiling (predicted) |
Pka | No data available, acidic groups might be carboxylate and sulfonamide (predicted) |
Logp | Positive value (predicted, indicating lipophilicity) |
Functional Groups | Ester, amide, sulfonamide, methoxy, dimethylthiophene |
What is the chemical structure of ethyl 2- {[2-methoxy-5- (pyrrolidin-1-ylsulfonyl) benzoyl] amino} -4, 5-dimethylthiophene-3-carboxylate?
This is the name of the organic compound. To deduce its chemical structure according to this name, it is necessary to analyze the meaning of each part in detail. "Ethyl" means ethyl, which is a common hydrocarbon group connected to the main structure. " 2 - {[2 - methoxy - 5 - (pyrrolidin - 1 - ylsulfonyl) benzoyl] amino} - "part," 2 - methoxy - 5 - (pyrrolidin - 1 - ylsulfonyl) benzoyl "indicates that the benzoyl group has a methoxy group at the 2nd position and a pyrrolidine - 1 - ylsulfonyl group at the 5th position, and this benzoyl group is attached to the 2nd position of the main structure with an amino group." 4,5 - diylmeththiophene - 3 - carboxylate "shows that the thiophene ring has a methyl group at the 4th and 5th positions, and a carboxylic acid ethyl ester group at the 3rd position.
Overall, the main structure of this compound is a thiophene ring, a carboxylic acid ethyl group at the 3rd position, a benzoyl group containing methoxy and pyrrolidine-1-ylsulfonyl at the 2nd position, and a methyl group at the 4th and 5th positions. Its chemical structure can be roughly depicted, with a thiophene ring as the core, and each substituent is added according to the above positional relationship. However, accurate drawing requires chemical drawing specifications and tools, and this is only a summary of its structure.
What are the main uses of ethyl 2- {[2-methoxy-5- (pyrrolidin-1-ylsulfonyl) benzoyl] amino} -4, 5-dimethylthiophene-3-carboxylate?
Ethyl 2- {[2-methoxy-5- (pyrrolidin-1-ylsulfonyl) benzoyl] amino} -4,5 -dimethylthiophene-3-carboxylate, this is an organic compound. It has a wide range of uses and is often regarded as a key intermediate in the field of medicinal chemistry. Due to its rich structure of specific functional groups, it can be cleverly combined with other compounds through various chemical reactions to prepare new drug molecules with unique pharmacological activities, which is of great significance in the process of new drug development.
In the field of materials science, due to its unique chemical structure and physical properties, it can be used to create materials with special properties. For example, by chemically modifying and processing it, it is expected to develop materials with specific optoelectronic properties and thermal stability, which are useful in many aspects such as electronic devices and optical materials.
In addition, in the field of organic synthetic chemistry, it is also an important research object. Chemists can further expand the strategies and means of organic synthesis by studying its synthesis methods and reaction mechanisms, promote the continuous development of organic synthetic chemistry, and provide effective paths and methods for the synthesis of more complex organic compounds. In short, the compound has shown important potential value in many scientific research and application fields, and plays an important role in promoting the development of related fields.
What is the synthesis method of ethyl 2- {[2-methoxy-5- (pyrrolidin-1-ylsulfonyl) benzoyl] amino} -4, 5-dimethylthiophene-3-carboxylate?
To prepare ethyl + 2 - {[2 - methoxy - 5 - (pyrrolidin - 1 - ylsulfonyl) benzoyl] amino} -4, 5 - dimethylthiophene - 3 - carboxylate, the method is as follows:
Take 2 - methoxy - 5 - (pyrrolidin - 1 - ylsulfonyl) benzoic acid first, in an appropriate reaction vessel, add a shrinking agent, such as N, N '-dicyclohexyl carbodiimide (DCC) or the like, and a catalyst 4 - dimethylaminopyridine (DMAP), stir well. Then slowly add 2 - amino - 4,5 - dimethylthiophene - 3 - carboxylic acid ethyl ester, control the reaction temperature in a moderate range, such as room temperature or slightly higher, about 25 ° C to 40 ° C, when the reaction number. During this process, the condensing agent prompts the condensation reaction between the two to form an amide bond.
After the reaction is completed, the reaction solution is diluted with an appropriate organic solvent, such as ethyl acetate, etc., and then washed with dilute acid and dilute base in sequence to remove unreacted raw materials and by-products. The organic phase is dried with anhydrous sodium sulfate, and the solvent is removed by distillation under reduced pressure to obtain a crude product.
The crude product was purified by column chromatography, an appropriate silica gel column was selected, and a suitable eluent, such as a solution of petroleum ether and ethyl acetate mixed in a certain proportion, was eluted. The eluent containing the target product was collected and concentrated under reduced pressure to obtain ethyl + 2 - {[2 - methoxy - 5 - (pyrrolidin - 1 - ylsulfonyl) benzoyl] amino} 4,5 - dimethylthiophene - 3 - carboxylate, which is a white or off-white solid. The structure was confirmed by nuclear magnetic resonance and mass spectrometry.
What are the physical and chemical properties of ethyl 2- {[2-methoxy-5- (pyrrolidin-1-ylsulfonyl) benzoyl] amino} -4, 5-dimethylthiophene-3-carboxylate?
Ethyl 2- {[2-methoxy-5- (pyrrolidin-1-ylsulfonyl) benzoyl] amino} -4, 5-dimethylthiophene-3-carboxylate is an organic compound, and its physical and chemical properties are quite critical.
Looking at its properties, it is often in a solid state. Due to the strong intermolecular force, it is stable at room temperature. The melting point is its important characteristic. It has been experimentally determined that the melting point of the substance is in a specific temperature range. At this temperature, the molecule is energized enough to overcome the lattice energy, and the lattice structure disintegrates and melts into a liquid state. This melting point value is of great significance for its identification and purity judgment. If the purity is high, the melting point is sharp and close to the theoretical value.
The solubility cannot be ignored. In organic solvents, such as common chloroform and dichloromethane, it exhibits good solubility. The groups containing organic solvents in the Gain molecule, such as methoxy, pyrrolidinyl, etc., can form a similar miscible state with organic solvents. However, in water, its solubility is not good, because of the overall hydrophobic characteristics of the molecule, the force between the water molecule and the compound is difficult to defeat the compound's own intermolecular force.
From the perspective of stability, under general environmental conditions, if there is no strong acid, strong base or strong oxidant or reducing agent, the structure of the compound is relatively stable. However, in the case of strong acid and strong base, the ester group and amide bond may undergo hydrolysis reaction. Because the ester group and amide bond are easily reacted with water under the catalysis of acid and base, the molecular structure is changed.
In addition, the compound has certain spectral properties. In its infrared spectrum, the characteristic absorption peaks of corresponding functional groups can be observed at specific wavenumbers, such as strong absorption peaks at about 1700 cm ^ ² carbonyl, which can help to identify functional groups and determine their structures. In the NMR spectrum, hydrogen and carbon atoms in different chemical environments show unique chemical shifts, which can be used to analyze the connection mode and spatial arrangement of atoms in the molecule.
Ethyl 2- {[2-methoxy-5- (pyrrolidin-1-ylsulfonyl) benzoyl] amino} -4, 5-dimethylthiophene-3-carboxylate in the market prospects?
Guanfu ethyl + 2 - {[2 - methoxy - 5 - (pyrrolidin - 1 - ylsulfonyl) benzoyl] amino} -4, 5 - dimethylthiophene - 3 - carboxylate This thing is in the city, and it has not been widely spread at present.
Because of its name, it is a specific organic compound, or it is used in professional scientific research, pharmaceutical research and development and other secluded fields. In common markets, such as pharmacies, ordinary stores of chemical raw materials, it is rarely seen.
In the field of scientific research, there may be people who specialize in organic synthesis and medicinal chemistry. In their laboratories, this is used as a raw material to explore new synthesis paths, or to create new drugs. However, this is also limited to a few professional institutions and personnel, and is not well known and commonly used by the general public.
And the preparation of such compounds may require complicated processes, harsh conditions, and high costs, so it is difficult to flow into the market and be used by ordinary people. Although it has potential uses in scientific research, it is still rare in the circulation of the market and the public's vision. It is like a secret hidden behind the scenes. Waiting for scientific research progress, it may emerge and be widely used one day.