Chemical Formula | C22H20F2N2O6S |
Molar Mass | 478.47 g/mol |
Chemical Formula | C23H21F2N3O6S |
Molecular Weight | 507.49 |
Appearance | Solid (presumed, typical for organic compounds of this type) |
Solubility In Water | Low (due to non - polar aromatic and hydrophobic groups) |
Solubility In Organic Solvents | Soluble in common organic solvents like DMSO, DMF (due to polar functional groups and aromatic nature) |
Logp | Positive (due to hydrophobic groups, indicating lipophilicity) |
Stability | Stable under normal conditions if protected from light and air (typical for similar organic compounds with nitro and other functional groups) |
Odor | Odorless or faint odor (presumed, based on similar organic compounds) |
2- [2,6-Difluorobenzyl] Ethoxycarbonylamino] -4- [Dimethylaminomethyl] -5-4-Nitrophenylthiophene-3-Carboxylic acid
This is the naming of an organic compound. To know its chemical structure, it is necessary to analyze it according to the naming rules. "2- [2,6-difluorobenzyl] ethoxycarbonylamino-4- [dimethylaminomethyl] -5- (4-nitrophenyl) thiophene-3-carboxylic acid".
The primary main chain is thiophene-3-carboxylic acid, which has a thiophene ring as the core and a carboxyl group at position 3.
Next, there is a complex substituent at position 2. This substituent begins with the ethoxycarbonyl amino group, that is, the ethoxy group ($C_2H_5O - $) is connected to the carbonyl group ($C = O $), and the carbonyl group is connected to the amino group ($-NH - $); and the amino group is connected with 2,6 -difluorobenzyl, and the benzyl ring of this benzyl group is substituted with a fluorine atom at position 2,6.
Furthermore, there is a dimethylaminomethyl group at position 4, which means that the methyl group ($- CH_3 $) is connected twice to the amino group ($-NH - $), and this dimethylamino group is connected to the methyl group ($- CH_2 - $) and is connected to the thiophene ring at position 4.
Finally, there is a 4-nitrophenyl group at position 5, that is, a nitro group ($- NO_2 $) at position 4 of the benzene ring, which is attached to position 5 of the thiophene ring.
In this way, the chemical structure of this compound can be obtained by disassembling the named parts.
2- [2,6-Difluorobenzyl] Ethoxycarbonylamino] -4- [Dimethylaminomethyl] What are the physical properties of -5-4-Nitrophenylthiophene-3-Carboxylic acid
2-% 5B2% 2C6-difluorobenzyl% 5D-ethoxycarbonylamino% 5D-4-% 5B-dimethylaminomethyl% 5D-5- (4-nitrophenyl) thiophene-3-carboxylic acid, the physical properties of this substance are quite critical, related to its application in various fields.
Looking at its properties, it is either solid or powder at room temperature. This morphology is closely related to the interaction and structure of molecules. The groups in the molecule are involved with each other, resulting in a specific aggregation state under general conditions.
Discusses the melting point, which is an important physical parameter. Due to the presence of groups such as difluorobenzyl and nitrophenyl in the molecular structure, these groups endow the molecule with a specific spatial configuration and interaction force, or the melting point is within a certain range. However, the exact value needs to be accurately determined by experiments before it can be determined.
Solubility cannot be ignored. The compound contains polar groups such as ethoxycarbonyl amino group and dimethylaminomethyl group, as well as non-polar parts such as difluorobenzyl group and nitrophenyl group. Therefore, in polar solvents such as alcohols, there may be a certain solubility, because polar groups can form hydrogen bonds with alcohol molecules and interact; in non-polar solvents such as alkanes, the solubility may be limited, because the non-polar part has a weak force on alkane molecules.
Then again, density, the type and number of atoms in a molecule, as well as the spatial arrangement determine its density characteristics. Although there is no exact value, according to the structure, the density may be in a similar category to that of common organic compounds.
In addition, its refractive index is also one of the parameters that characterize the physical properties. The complexity of the molecular structure causes light to refract when passing through, and the refractive index reflects the influence of molecules on light propagation. However, this parameter also needs to be accurately determined experimentally.
The physical properties of this compound may vary slightly due to factors such as preparation methods and purity. In practical applications and research, accurately grasping these properties is extremely important for its subsequent development and utilization.
2- [2,6-Difluorobenzyl] Ethoxycarbonylamino] -4- [Dimethylaminomethyl] -5-4-Nitrophenylthiophene-3-Carboxylic acid
To prepare 2 - [ (2,6 - difluorobenzyl) ethoxycarbonylamino] - 4 - [dimethylaminomethyl] - 5 - (4 - nitrophenyl) thiophene - 3 - carboxylic acid, the synthesis method is as follows:
starting material, select 2,6 - difluorobenzyl alcohol and ethyl chloroformate, both in an appropriate molar ratio, such as 1:1.2 to 1:1.5, in an organic solvent, such as dichloromethane, add an appropriate amount of acid binding agent, such as triethylamine, at low temperature, about 0 ° C to 5 ° C, when stirring the reaction number, to obtain (2,6 - difluorobenzyl) ethoxycarbonyl Chlorine.
Another compound containing thiophene structure, which has a carboxylation check point at the 3-position of thiophene, a 4-position reserved group that can introduce dimethylamino methyl, and a 5-position reserved group that can introduce 4-nitrophenyl. Prior to the 4-position of thiophene, dimethylaminomethylation reagents, such as (dimethylamino) methyl chloride, are added to dimethylaminomethyl chloride under basic conditions, such as in the presence of potassium carbonate, and heated to 50 ° C to 60 ° C in solvents such as acetonitrile. When the reaction number is reached, dimethylaminomethyl is introduced. < Br >
Then at the 5-position of thiophene, with 4-nitrophenyl halide, such as 4-nitrobromobenzene, in a palladium-catalyzed system, such as tetra (triphenylphosphine) palladium, and a base, such as cesium carbonate, in the presence of N, N-dimethylformamide solvent, heated to 100 ° C to 110 ° C, reacted for a certain period of time, connected to 4-nitrophenyl.
Finally, the obtained thiophene-containing derivative is combined with the previously prepared (2,6-difluorobenzyl) ethoxycarbonyl chloride, in the presence of a base such as pyridine, in a dichloromethane solvent at room temperature. (2,6-difluorobenzyl) ethoxycarbonyl amino can be introduced at room temperature.
After the reaction is completed, the pure 2- [ (2,6-difluorobenzyl) ethoxycarbonyl amino] -4- [dimethylaminomethyl] -5- (4-nitrophenyl) thiophene-3-carboxylic acid can be obtained by extraction, column chromatography and other separation methods. Each step of the reaction requires monitoring of the reaction process to achieve optimum results.
2- [2,6-Difluorobenzyl] Ethoxycarbonylamino] -4- [Dimethylaminomethyl] -5-4-Nitrophenylthiophene-3-Carboxylic acid What are the application fields
2-% 5B2% 2C6-difluorobenzyl% 5D-ethoxycarbonylamino% 5D-4-% 5B dimethylaminomethyl% 5D-5-4-nitrophenylthiophene-3-carboxylic acid, this compound is very useful in the field of pharmaceutical creation. Due to its unique structural characteristics, it may be closely compatible with specific biological targets. By regulating key biochemical processes in organisms, it is expected to be developed as a good medicine for treating many diseases, such as inflammatory diseases. By precisely regulating inflammation-related signaling pathways, it can achieve anti-inflammatory effects. Tumor diseases may hinder the proliferation of tumor cells and induce their apoptosis, adding a powerful avenue for the development of anti-cancer drugs.
In the field of pesticide development, it also has potential value. Its special chemical structure may give it a unique mechanism of action against certain pests and pathogens, or it can damage the nervous system of pests and interfere with the metabolism of pathogens, so as to make new and efficient pesticides, help agricultural pest control, and improve crop yield and quality.
In the field of materials science, this compound may provide an opportunity for the development of new functional materials due to its special electronic structure and physicochemical properties. For example, in photovoltaic materials, or with its specific light absorption and charge transport properties, it can be applied to organic Light Emitting Diodes, solar cells, etc., to promote the frontier development of materials science and open up new paths of technological innovation.
2- [2,6-Difluorobenzyl] Ethoxycarbonylamino] -4- [Dimethylaminomethyl] -5-4-Nitrophenylthiophene-3-Carboxylic acid
There are currently 2 - [2,6 - difluorobenzyl] ethoxycarbonylamino - 4 - [dimethylaminomethyl] - 5 - 4 - nitrophenylthiophene - 3 - carboxylic acid, which is an organic compound. Looking at its market prospects, it is really complex.
In the field of medicine, organic compounds are often the key cornerstones of drug development. The unique molecular structure of this compound may contain the potential for pharmacological activity. If it can demonstrate affinity for specific disease-related targets, such as inhibition of the growth of certain tumor cells or regulation of neurological diseases, it may find opportunities in the development of new drugs. Today's pharmaceutical market is hungry for new specific drugs. If this compound can become an effective pharmaceutical ingredient through in-depth research and development, its market prospect may be bright, and it can obtain rich economic benefits and social benefits.
In the field of materials science, organic compounds are also often the elements for building new functional materials. The properties of this compound may make it stand out in the fields of optoelectronic materials and polymer materials. If it has unique optical and electrical properties, it may be used to prepare high-performance Light Emitting Diodes, sensors and other materials. Today's materials market is changing with each passing day, and the demand for innovative materials continues to rise. If this compound can meet the relevant needs, it can also occupy a place in the materials market and usher in a broad development space.
However, its market prospects also pose challenges. The development and application of organic compounds often requires a complicated process. From laboratory synthesis optimization, to pilot scale-up, to industrial production, many technical problems need to be overcome. And safety, environmental protection and other requirements are also important considerations. If the R & D or production process cannot meet regulatory standards, or it is difficult to achieve large-scale stable production, the road of marketing activities may be full of thorns.
In summary, the market prospect, opportunities and challenges coexist for 2- [2,6-difluorobenzyl] ethoxycarbonylamino-4- [dimethylaminomethyl] -5-4-nitrophenylthiophene-3-carboxylic acid, which requires rigorous research and rational development to know its final direction in the market.