Chemical Formula | C23H20F2N2O6S |
Molar Mass | 490.48 g/mol |
Physical State | Solid (usually) |
Appearance | Typically a powder (color may vary depending on purity) |
Solubility In Water | Low solubility (due to non - polar aromatic groups) |
Solubility In Organic Solvents | May be soluble in some organic solvents like DMSO, DMF |
Logp | Positive value indicating lipophilicity (due to aromatic and fluorinated groups) |
What is the chemical structure of 2- [[ (2,6-difluorophenyl) methyl] (ethoxycarbonyl) amino] -4-methyl-5- (4-nitrophenyl) -3-thiophenecarboxylic acid?
The chemical structure of 2 - [ [( 2,6 -diethylamino) methyl] (ethoxycarbonyl) amino] -4 -methyl-5- (4 -pyridyl) -3 -quinolinecarboxylic acid. The structure of this compound is slightly complicated, so let me tell you in detail.
Its core structure is a quinoline ring, with a formic acid group at position 3. The quinoline ring is connected with a methyl group at position 4 and a 4-pyridyl group at position 5. Looking at the side chain attached to the ring, there is a complex substituent at position 2. This substituent has an amino group as the connection point, one side is [ (2,6-diethylamino) methyl] group, and the other side is (ethoxy carbonyl) group. In
[ (2,6-diethylamino) methyl], 2,6-diethylamino is two ethylamino groups connected to the 2,6 position of the benzene ring, and then connected to the methyl group. (Ethoxy carbonyl) is the structure in which ethoxy is connected to carbonyl. All these together constitute the chemical structure of this 2 - [ [( 2,6 -diethylamino) methyl] (ethoxycarbonyl) amino] -4 -methyl-5- (4 -pyridyl) -3 -quinolinecarboxylic acid. The interaction of parts of this structure gives the compound its unique chemical properties and possible applications.
What are the main uses of 2- [[ (2,6-difluorophenyl) methyl] (ethoxycarbonyl) amino] -4-methyl-5- (4-nitrophenyl) -3-thiophenecarboxylic acid?
2 - [ [( 2,6 -diethylphenylmethyl) (ethoxycarbonyl) amino] -4 -methyl-5- (4 -pyridyl benzyl) -3 -isoxazolecarboxylic acid This compound has important uses in many fields.
In the field of medical chemistry, it may be used as a key intermediate in the process of drug development due to its unique chemical structure. With the ingenious modification and combination of groups such as pyridyl benzyl and diethylphenyl methyl, it may be possible to design and synthesize drug molecules with specific biological activities, such as acting on specific targets, regulating physiological processes, and exerting therapeutic effects on certain diseases.
In the field of materials science, this compound may participate in the construction of new functional materials. It contains a variety of functional groups, which can endow materials with unique electrical, optical or mechanical properties. For example, by combining it with other materials, it is possible to prepare materials with special electrical conductivity or optical response, which are useful in electronic devices, optical sensors, etc.
In the field of organic synthetic chemistry, this compound is an important synthetic building block, which can be derived through various chemical reactions. Organic molecules with complex structures and rich functions can be derived through various chemical reactions. Using the characteristics of groups such as ethoxy carbonyl and isoxazolecarboxylic acid, esterification, cyclization and other reactions can be carried out to expand the structural diversity of organic molecules and inject impetus into the development of organic synthetic chemistry.
What is the synthesis method of 2- [[ (2,6-difluorophenyl) methyl] (ethoxycarbonyl) amino] -4-methyl-5- (4-nitrophenyl) -3-thiophenecarboxylic acid?
To prepare 2 - [ [ ( 2,6 - diethylphenyl) methyl] (ethoxycarbonyl) amino] - 4 - methyl - 5 - (4 - fluorophenyl) - 3 - pyridinecarboxylic acid, the following ancient method can be carried out.
First, appropriate starting materials are taken, which involve benzene rings containing specific substituents and pyridine ring related compounds. For 2,6 - diethylphenyl moiety, benzene can be started, and ethyl groups can be introduced through alkylation reaction to form 2,6 - diethylbenzene structures at suitable positions. This structure is reacted with compounds containing methyl activity check points to construct [ (2,6-diethylphenyl) methyl] fragments.
As for the ethoxycarbonyl moiety, ethanol can be reacted with reagents such as phosgene or ethyl chloroformate to generate ethoxycarbonylation reagents, and then reacted with amino-containing intermediates to introduce ethoxycarbonyl groups to form (ethoxycarbonyl) amino structures.
4-methyl-5- (4-fluorophenyl) -3-pyridine carboxylic acid This part, the construction of the pyridine ring is very important. A suitable pyridine derivative can be selected as the starting material. By substitution reaction, methyl group is introduced at the 4th position of the pyridine ring, and 4-fluorophenyl group is introduced at the 5th position. The introduced methyl group can be reacted with methylation reagents, such as iodomethane, under appropriate base catalysis. The introduction of 4-fluorophenyl group can be achieved by arylation reaction with 4-fluorobromobenzene as reagents, with the help of transition metal catalysis.
During the synthesis process, the conditions of each step of the reaction need to be carefully regulated. The choice of temperature, solvent and catalyst has a great influence on the reaction process and product yield. For example, the alkylation reaction often needs to be carried out in an appropriate organic solvent with Lewis acid as a catalyst to control the reaction temperature and make the reaction proceed smoothly. The arylation reaction relies more on transition metal catalysts, such as palladium catalysts, and at the same time requires the coordination of ligands. In the presence of suitable bases, high-efficiency reactions can be achieved in a certain temperature range.
After each step of the reaction is completed, it needs to be separated and purified to obtain high-purity products. Commonly used separation methods include column chromatography, recrystallization, etc. The appropriate method can be selected according to the physical and chemical properties of the product and impurities. Thus, the target product 2 - [ [ ( 2,6 -diethylphenyl) methyl] (ethoxycarbonyl) amino] - 4 -methyl-5 - (4 -fluorophenyl) - 3 -pyridinecarboxylic acid can be obtained by multi-step reaction and fine operation.
What are the physical properties of 2- [[ (2,6-difluorophenyl) methyl] (ethoxycarbonyl) amino] -4-methyl-5- (4-nitrophenyl) -3-thiophenecarboxylic acid?
This is a rather complex chemical inquiry related to the physical properties of "2 - [[ (2,6 -diethylphenyl) methyl] (ethoxycarbonyl) amino] -4 -methyl-5 - (4 -pyridylphenyl) -3 -quinolinecarboxylic acid". The following is explained in the style of the text of Tiangong Kaiwu.
This compound may be in a solid state at room temperature. Looking at its appearance, it may be a white to off-white crystalline powder. Due to the structural characteristics of organic compounds, it is relatively stable in this state.
Its melting point is an important physical property. After many experimental investigations and theoretical deductions, it can be known that its melting point is in a certain temperature range. The value of this melting point is related to the strength of the intermolecular force of the compound. In the molecular structure, benzene ring, pyridyl group and other parts interact to form a relatively stable lattice structure. A specific heat is required to break this structure and turn the substance from solid to liquid. The temperature corresponding to this heat is the melting point.
In terms of solubility, it may have certain solubility in common organic solvents, such as ethanol, dichloromethane, etc. The hydroxyl group of ethanol interacts with polar groups in the compound, such as ethoxy carbonyl, which can form hydrogen bonds and other interactions to promote the dissolution of the compound. In water, the solubility is poor due to the limited polarity of the molecule as a whole and the structure of hydrophobic benzene rings and pyridyl groups.
Density is also one of its physical properties. Due to the given type and quantity of atoms in the molecule, the atomic mass and spatial arrangement determine its density. The density of this compound, estimated according to its structure, should be within a certain range, more common organic solvents or slightly larger, because the molecule contains relatively heavy atoms such as nitrogen and oxygen, and the structure is relatively compact.
In summary, "2 - [[ (2,6 -diethylphenyl) methyl] (ethoxycarbonyl) amino] -4 -methyl-5 - (4 -pyridylphenyl) -3 -quinolinecarboxylic acid" has such physical properties, which are of great significance for related operations and applications in chemical synthesis, drug development and other fields.
What are the market prospects for 2- [[ (2,6-difluorophenyl) methyl] (ethoxycarbonyl) amino] -4-methyl-5- (4-nitrophenyl) -3-thiophenecarboxylic acid?
Wen Jun asked about the market prospect of 2 - [[ (2,6 - diethylphenylmethyl) methyl] (ethoxycarbonyl) urea] -4 - methyl - 5 - (4 - pyridyl) - 3 - isozolecarboxylic acid. This compound is in the field of pharmaceutical and chemical industry, and the future is promising.
At the end of pharmaceutical research and development, such compounds may have unique pharmacological activities. Their complex structure contains various reaction check points, or can interact with specific biological targets. In the creation of innovative drugs, or as a key intermediate. Today, many pharmaceutical companies are inclined to develop novel target drugs to solve the dilemma of difficult diseases. If this compound can be studied in depth and confirmed to have high affinity and selectivity for certain disease targets, it will definitely attract the attention of pharmaceutical companies and gain a place in the process of new drug research and development. The market potential cannot be underestimated.
Looking at the field of chemical synthesis, as a fine chemical product, it can provide new paths and ideas for organic synthetic chemistry. Organic synthetic chemists are constantly seeking new structures and new methods. The unique structure of this compound or inspire new synthesis strategies will promote the development of organic synthesis technology. With the pursuit of green and efficient synthesis in the chemical industry, if an environmentally friendly and economical synthesis route can be developed, its competitiveness in the chemical market will be greatly increased, and its market share is also expected to expand.
However, its market prospects also pose challenges. The synthesis process may be complicated and cumbersome, and the cost remains high, which restricts large-scale production and marketing activities. And pharmaceutical research and development requires a long and strict approval process. If pharmacological and toxicological research encounters setbacks, it will also delay the listing process.
Overall, 2 - [ (2,6-diethylphenylmethyl) methyl] (ethoxycarbonyl) urea] -4 -methyl-5 - (4-pyridyl) - 3 -isoxazole carboxylic acid If it can overcome the synthesis and research and development problems, it will have a bright future in the pharmaceutical and chemical market, and is expected to bring new opportunities and breakthroughs to the industry.