Chemical Formula | C25H25F2N3O7S |
Molar Mass | 567.54 g/mol |
Physical State | Solid (predicted) |
Appearance | Yellow - brown solid (estimated) |
Solubility In Water | Low solubility (due to non - polar groups like 2,6 - difluorobenzyl and 4 - nitrophenyl) |
Solubility In Organic Solvents | Soluble in organic solvents like dichloromethane, chloroform (due to its organic nature) |
Pka | Relevant acidic group: carboxylic acid pKa likely around 3 - 5 (estimated for the thiophene - 3 - carboxylic acid moiety) |
Logp | Positive value (indicating lipophilicity, estimated around 3 - 5 due to non - polar aromatic groups) |
What is the chemical structure of 2- (((2,6-difluorobenzyl) (ethoxycarbonyl) amino) -4 ((dimethylamino) methyl) -5- (4-nitrophenyl) thiophene-3-carboxylic acid of this product?
The description of the structure of this compound is quite complicated and allows me to go into detail. Its name is 2- (((2,6-diisopropyl) (ethoxycarbonyl) amino) -4- ((dimethylamino) methyl) -5- (4-fluorophenyl) thiazole-3-carboxylic acid.
First look at its main structure, which is the thiazole ring, which is the core part of the compound. At the second position of the thiazole ring, there is a complex group connected, which is composed of (2,6-diisopropyl) (ethoxycarbonyl) amino. Among them, 2,6-diisopropyl is a group with a specific spatial structure and electronic effect, and the introduction of isopropyl will affect the steric hindrance and lipophilicity of the molecule; ethoxycarbonyl contains carbonyl and ethoxy, the carbonyl group has certain reactivity, and the ethoxy group affects the solubility of the molecule.
The 4th position of the thiazole ring is connected to the ((dimethylamino) methyl) group, and the dimethylamino group is the electron donor group, which can change the electron cloud density of the thiazole ring, thereby affecting the chemical and biological activities of the compound. The introduction of fluorine atoms can significantly change the electron cloud density of the benzene ring and enhance the lipophilicity and stability of the compound. The carboxyl group at the 3rd position of the thiazole ring is acidic, which can participate in a variety of chemical reactions and may also interact with targets in vivo.
The groups in the structure of this compound interact with each other to jointly determine its physicochemical properties and biological activities, which may be of great significance in the fields of drug development and organic synthesis.
What are the physical properties of 2- (((2,6-difluorobenzyl) (ethoxycarbonyl) amino) -4 ((dimethylamino) methyl) -5 - (4-nitrophenyl) thiophene-3-carboxylic acids?
This is a physical investigation involving chemistry. 2- ((2,6-diethylamino) (ethoxycarbonyl) amino) -4- ((dimethylamino) methyl) -5- (4-chlorobenzyl) thiazole-3-carboxylic acid This compound has many physical properties.
View its solubility, because it contains a variety of polar groups, such as amino, carbonyl, ethoxy, etc., it may have certain solubility in polar solvents. Amino and water molecules can form hydrogen bonds, which can improve its solubility in polar solvents such as water or alcohols. However, the molecule contains a large hydrophobic group, such as benzyl, or it may be partially dissolved in non-polar solvents, and the overall solubility is in balance between polar and non-polar solvents.
Discusses the melting point, the interaction of hydrogen bonds and van der Waals forces between molecules. The hydrogen bonds between polar groups make the molecules arranged in an orderly manner, requiring high energy to destroy, causing the melting point to rise. At the same time, the large molecular structure and complex substituents increase the intermolecular forces, which also affect the melting point. The specific melting point is determined by accurate experiments.
As for the boiling point, due to the complex intermolecular forces, in addition to hydrogen bonds, van der Waals forces are enhanced due to the larger molecules. To make the compound boil, it is necessary to overcome these forces, so the boiling point is higher. And its structural stability is affected by the interaction of various groups in the molecule to maintain structural stability. When heated, sufficient energy is required to break this stable structure, which is also a factor for the increase of boiling point.
This compound has unique solubility due to the coexistence of polar and non-polar parts in the structure. Due to various forces between molecules, the melting point and boiling point are significantly affected, presenting specific physical properties.
What are the main uses of 2- (((2,6-difluorobenzyl) (ethoxycarbonyl) amino) -4 ((dimethylamino) methyl) -5- (4-nitrophenyl) thiophene-3-carboxylic acids?
2-%28%282%2C6-%E4%BA%8C%E6%B0%9F%E8%8B%84%E5%9F%BA%29%28%E4%B9%99%E6%B0%A7%E5%9F%BA%E7%BE%B0%E5%9F%BA%29%E6%B0%A8%E5%9F%BA%29-4%28%28%E4%BA%8C%E7%94%B2%E5%9F%BA%E6%B0%A8%E5%9F%BA%29%E7%94%B2%E5%9F%BA%29-5-%284-%E7%A1%9D%E5%9F%BA%E8%8B%AF%E5%9F%BA%29%E5%99%BB%E5%90%A9-3-%E7%BE%A7%E9%85%B8%E7%9A%84%E4%B8%BB%E8%A6%81%E7%94%A8%E9%80%94%E6%98%AF%E4%BB%80%E4%B9%88%EF%BC%9F%3F%2C this paragraph seems to be a description of chemically related complex structures or substances, but the presentation is more confusing and it is difficult to directly understand the exact meaning.
However, according to the style of "Tiangong Kaiwu", it is necessary to describe the nature and use of things in clear and clear words. In the field of chemistry, 2- ((2,6-diethylamino) (ethoxybenzyl) amino) -4 ((dimethylamino) methyl) -5- (4-chlorophenoxy) pentanitrile-3-carboxylic acids, such compounds may have various uses. < Br >
2- ((2,6-diethylamino) (ethoxybenzyl) amino) -4 ((dimethylamino) methyl) -5- (4-chlorophenoxy) pentanitrile-3-carboxylic acid, which can be used as a lead compound in the field of medicinal chemistry, modified and optimized, or can be developed as a drug for the treatment of specific diseases. Because of the different groups contained in it, such as amino groups, oxygen groups, etc., it can interact with targets in organisms and regulate physiological processes.
In the field of pesticide chemistry, the structural properties of this compound may endow it with insecticidal, bactericidal or herbicidal activities. Its specific chemical structure can interfere with the nervous system of pests, the metabolic process of pathogens or the growth mechanism of weeds, in order to achieve the effect of control.
Or in the field of materials science, its special structure can be used to prepare materials with special properties, such as functional materials with adsorption or separation of specific substances, through polymerization or compounding.
Although it is difficult to determine the precise meaning of this complex chemical expression, according to chemical principles, such compounds can find applications in various fields such as medicine, pesticides, and materials due to their unique structures.
What are the synthesis methods of 2- (((2,6-difluorobenzyl) (ethoxycarbonyl) amino) -4 ((dimethylamino) methyl) -5 - (4-nitrophenyl) thiophene-3-carboxylic acids?
To prepare 2 - ((2,6 - diethylamino) (ethoxybenzyl) amino) - 4 - ((dimethylamino) methyl) - 5 - (4 - chlorobenzyl) thiazole - 3 - carboxylic acid, the synthesis method is as follows:
First, we can start from the key raw materials. For the (2,6-diethylamino) (ethoxybenzyl) amino moiety, an appropriate 2,6-diethylamino-containing compound and an ethoxybenzyl-containing reagent can be selected first, and under suitable reaction conditions, such as in the presence of a basic catalyst, a suitable temperature and solvent system, the two can be combined to form the partial structure by nucleophilic substitution reaction.
For the construction of the 4- ((dimethylamino) methyl) structure, the dimethylamino-containing reagent and a suitable halogenated hydrocarbon can be used to introduce the dimethylamino-methyl group through substitution reaction under a phase transfer catalyst or a specific basic environment.
For the 5- (4-chlorobenzyl) thiazole moiety, the thiazole ring can usually be synthesized first, and then 4-chlorobenzyl can be introduced at the 5th position of the thiazole ring by reacting with 4-chlorobenzyl halide. The synthesis of thiazole rings can generally be obtained by condensation of sulfur-containing compounds with nitrogen-containing compounds and carbonyl compounds under acidic or basic conditions.
Finally, the above part structures are connected in sequence through appropriate reaction steps to form the target product 2- ((2,6-diethylamino) (ethoxybenzyl) amino) -4- ((dimethylamino) methyl) -5- (4-chlorobenzyl) thiazole-3-carboxylic acid. During the whole synthesis process, the reaction conditions, including temperature, pH, reaction time, etc., need to be strictly controlled to ensure the smooth progress of each step of the reaction and the purity and yield of the product. At the same time, necessary separation and purification operations, such as column chromatography, recrystallization, etc. are carried out for each step of the reaction product to ensure the quality of the final product.
2- ((2,6-difluorobenzyl) (ethoxycarbonyl) amino) -4 ((dimethylamino) methyl) -5- (4-nitrophenyl) thiophene-3-carboxylic acid What are the precautions during storage and transportation?
When I look at this question, it involves the important items of storage and transportation of all kinds of chemicals. The following is a detailed description for you.
When storing 2- ((2,6-diethylamino) (ethoxybenzyl) ether), 4 ((dimethylamino) methyl) -5- (4-chlorobenzyl) imidazole-3-carboxylic acid, etc., the first environment should be selected. It must be placed in a cool, dry and well-ventilated place, away from direct sunlight, to prevent changes in light, temperature and humidity from changing its properties and quality.
Furthermore, many of these chemicals are dangerous, or flammable, or toxic, or corrosive. Therefore, the storage place must be strictly protected from fire sources, and stored according to their hazard categories. Do not mix them up, causing mutual reactions and causing disasters. At the same time, obvious warning signs need to be set up to make people aware of their danger at a glance.
When transporting, there are also many precautions. The means of transportation must be strictly inspected to ensure that there is no risk of leakage, and have corresponding protective and emergency equipment. According to the characteristics of the chemicals, select suitable packaging materials. If they are corrosive, use corrosion-resistant containers to contain them, and buffer and fix the materials to avoid packaging damage caused by collisions and bumps during transportation.
Transportation personnel should also be professionally trained to be familiar with the nature of the chemicals contained and emergency response methods. Transportation route planning should avoid sensitive areas such as densely populated areas and water sources, so as to reduce the harm in case of leakage.
In short, these chemicals must be stored and transported with great care, and relevant procedures and requirements must be strictly followed to ensure safety.