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What is the chemical structure of A-2-Dichloro-5- [4- (Difluoromethyl) -4,5-Dihydro-3-Methyl-5-Oxo-1H-1, 2,4-Triazol-1-Yl] -4-Fluorobenzenepropanoic Acid Ethyl Ester
This is the name of an organic compound. In order to deduce its chemical structure according to its name, each part needs to be analyzed in detail. "A-2-dichloro-5- [4- (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-yl] -4-ethyl fluorophenylpropionate".
First look at the main structure, "ethyl phenylpropionate", it can be seen that phenylpropionate is the parent nucleus, and the carboxyl group forms an ester with ethanol. " Phenylpropionic acid "is a benzene ring connected to a propyl group, and one end of the propyl group is a carboxyl group.
Looking at the substituent, there is a dichloro substitution at 2 positions on the benzene ring, a fluorine atom substitution at 4 positions, and a complex group is connected at 5 positions. This complex group is" [4- (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-yl] ", that is, a triazole ring structure, with difluoromethyl at 4 positions, methyl at 3 positions, carbonyl at 5 positions, and 1 position connected to the benzene ring.
In summary, the chemical structure of the compound is the core of the benzene ring, with dichlorine at the 2nd position, fluorine at the 4th position, triazole ring containing a specific substituent at the 5th position, and the benzene ring is connected to the propyl group. The other end of the propyl group forms an ester with ethanol. This compound has a complex structure, and each substituent affects each other, or has unique chemical and physical properties.
What are the physical properties of A-2-Dichloro-5- [4- (Difluoromethyl) -4,5-Dihydro-3-Methyl-5-Oxo-1H-1, 2,4-Triazol-1-Yl] -4-Fluorobenzenepropanoic Acid Ethyl Ester
A-2-dichloro-5- [4- (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-yl] -4-fluorophenylpropionic acid ethyl ester, this is an organic compound. Its physical properties are quite important, related to its application in many fields.
Looking at its appearance, it usually takes the form of a colorless to pale yellow liquid or solid. The melting point of this compound is actually a key physical property. The value of the melting point depends on the strength of the intermolecular forces. Due to the interaction of various functional groups in the molecule, such as dichloro, difluoromethyl, triazole and ester groups, the melting point is in a specific range, but the exact value needs to be accurately determined by experiments. The boiling point of
is also an important physical property. The boiling point is related to the relative molecular weight of the molecule and the intermolecular forces. The compound has a certain value of relative molecular weight, and the intermolecular forces include van der Waals forces, hydrogen bonds, etc. Various effects comprehensively determine its boiling point, causing it to boil into a gaseous state at a specific temperature.
In terms of solubility, because the molecule contains both hydrophilic functional groups, such as nitrogen atoms of triazole rings, which can participate in the formation of hydrogen bonds, and hydrophobic parts, such as dichloro and difluoromethyl groups, it has a certain solubility in organic solvents such as ethanol and acetone, but its solubility in water is relatively limited.
Density is also one of the physical properties. Its density reflects the mass per unit volume of a substance and is affected by the molecular structure and stacking method. The specific molecular structure of the compound makes the density present a specific value, which is of great significance for its behavior in solution and separation operations.
In addition, the refractive index is also one of the characterizations of its physical properties. The refractive index is related to the molecular polarizability, which can be used to identify the purity of the compound and determine its concentration, providing an important reference for the research and application of the compound. The refractive index of this compound will exhibit unique values due to the distribution of electron clouds in the molecular structure and the characteristics of chemical bonds.
A-2-Dichloro-5- [4- (Difluoromethyl) -4,5-Dihydro-3-Methyl-5-Oxo-1H-1, 2,4-Triazol-1-Yl] -4-Fluorobenzenepropanoic Acid Ethyl Ester
A-2-dichloro-5- [4- (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-yl] -4-fluorophenylpropionic acid ethyl ester, this is an organic compound. Looking at its structure and characteristics, it can be seen that its use is quite extensive.
In the field of medicine, or with its unique chemical structure, it can participate in drug synthesis. Or because it has an affinity for specific biological targets, it can be rationally designed and modified to make a good medicine for treating diseases, such as certain diseases such as inflammation and tumors. Due to drug research and development, compounds with unique structures are often relied on as the cornerstone. After repeated trials and optimization, effective therapeutic agents can be obtained.
In the field of agriculture, it may become a key intermediate for pesticide creation. In view of its specific functional groups, it may give pesticides such as bactericidal, insecticidal, and herbicide properties. For example, by reacting with other compounds, pesticide molecules with high efficiency, low toxicity, and environmental friendliness can be constructed to help agricultural harvests, prevent and control pests and diseases, and reduce adverse effects on the environment.
Or emerge in the field of materials science. Through its chemical activity, it participates in the synthesis of polymer materials and endows materials with special properties, such as improving material stability and weather resistance. In the preparation of coatings, plastics and other materials, as a functional monomer, it improves material quality and performance and meets the needs of different industrial and living scenarios.
In summary, A-2-dichloro-5- [4- (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-yl] -4-fluorophenylpropionate ethyl ester has potential application value in medicine, agriculture, materials and other fields, and is expected to contribute to the development of various industries.
A-2-Dichloro-5- [4- (Difluoromethyl) -4,5-Dihydro-3-Methyl-5-Oxo-1H-1, 2,4-Triazol-1-Yl] -4-Fluorobenzenepropanoic Acid Ethyl Ester
The synthesis of ethyl fluorophenylpropionate (ethyl) -1,2,4-triazole-1-yl-4-fluorophenylpropionate) -1,2-dichloro-5- [4- (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H is an important task in organic synthetic chemistry. To prepare this substance, a multi-step reaction is often followed.
The choice of starting materials is related to the success or failure of the synthesis and the efficiency. The fluorobenzene derivative can be taken first, and the dichloro group can be introduced into the benzene ring at a specific position under suitable reaction conditions with a specific halogenation reagent, such as a dichloro reagent. This step requires controlling the reaction temperature, time and the amount of reagents to achieve the purpose of highly selective halogenation.
Second, prepare intermediates containing difluoromethyl and triazole structures. Using suitable triazole compounds as groups, methylation, difluoromethylation and other reactions, the desired heterocyclic structure is constructed. The reagents used in the meantime, such as methylation reagents and difluoromethylation reagents, must be carefully selected according to the reaction mechanism and substrate characteristics.
Then, the halogenated benzene derivative and the triazole-containing intermediate are catalyzed by an organometallic coupling reaction to connect the two. The catalysts used in this step, such as palladium catalysts, can efficiently promote the formation of carbon-carbon bonds or carbon-heteroatomic bonds. During the reaction, the type and amount of solvent and base need to be adjusted to optimize the reaction environment.
Finally, the resulting intermediate is esterified and ethyl propionate group is introduced. Using propionic acid and ethanol as raw materials, esterification is completed in the presence of acid catalysis or condensation agent, and the target product A-2-dichloro-5- [4 - (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-yl] -4 -ethyl fluorophenylpropionate is obtained. After each step of the reaction, it needs to be separated and purified, such as column chromatography, recrystallization, etc., to ensure the purity of the product and lay the foundation for subsequent reactions.
A-2-Dichloro-5- [4- (Difluoromethyl) -4,5-Dihydro-3-Methyl-5-Oxo-1H-1, 2,4-Triazol-1-Yl] -4-Fluorobenzenepropanoic Acid Ethyl Ester
A-2-dichloro-5- [4- (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-yl] -4-fluorophenylpropionic acid ethyl ester, this substance is in today's pharmaceutical market, and the prospect remains to be studied in detail.
Looking at the advent of new drugs in the past, many of them have gone through twists and turns and then emerged. This compound has a unique structure, but the pharmaceutical market is changing like a situation, and its prospects are unpredictable.
First look at its research and development path, drug development seems to be finding a path in a thorn bush. It needs to go through layers of experiments, from pharmacological research to clinical trials, step by step. If its pharmacological properties are outstanding, it can accurately act on the target, and its safety is good, it will have a chance to emerge.
Market demand is also the key. In today's society, the disease spectrum is complex and changeable. If the compound targets common and intractable diseases, such as certain malignant tumors, stubborn inflammation, etc., it meets the urgent needs of the market, or can win a place.
Furthermore, the competitive situation cannot be underestimated. There are so many experts in the field of medicine, and similar competitors may have been preconceived. If you want to stand out, you need to have unique advantages, such as better curative effect, fewer side effects, and lower cost.
The road to sales promotion is also the key to success or failure. Just like merchants, it needs to be widely sold, so that the medical community and patients know its effect.
In summary, A-2-dichloro-5- [4- (difluoromethyl) -4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole-1-yl] -4-fluorophenylpropionate ethyl ester is in the market prospect, and it needs to be carefully studied by developers and weighed the pros and cons of all parties to know its rise and fall.