Chemical Name | Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]-, 1,1-dimethylethyl ester |
Molecular Formula | C26H26F2N2O5 |
Molecular Weight | 484.49 |
Chemical Name | Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]-, 1,1-dimethylethyl ester |
Molecular Formula | C26H26F2N2O5 |
Molecular Weight | 484.49 |
Appearance | Unknown (usually solid in pharmaceutical context) |
Melting Point | Unknown |
Boiling Point | Unknown |
Solubility | Unknown |
Pka | Unknown |
Logp | Unknown |
Chemical Structure Type | Ester with benzodioxole and pyridine moieties |
Chemical Name | Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]-, 1,1-dimethylethyl ester |
Chemical Formula | C30H30F2N2O6 |
Molar Mass | 552.57 g/mol |
Appearance | Solid (usually white or off - white) |
Solubility In Water | Low solubility in water |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
What is the chemical structure of this product "Benzoic acid, 3- [6- [[1- (2,2-difluoro-1,3-benzodioxol-5-yl) cyclopropyl] carbonyl] amino] -3-methyl-2-pyridinyl] -, 1,1-dimethylethyl ester"?
This is a question about the chemical structure of the compound "Benzoic acid, 3- [6- [[1 - (2,2 - difluoro - 1,3 - benzodioxol - 5 - yl) cyclopropyl] carbonyl] amino] - 3 - methyl - 2 - pyridinyl] -, 1,1 - dimethylethyl ester". I will use the style of ancient words to explain it.
Look at the name of this compound, it is a benzoic acid derivative. "Benzoic acid" is also benzoic acid. Its 3rd position is connected to a complex group, which has pyridine as the core. " 3 - [6 - [[[1 - (2,2 - difluoro - 1,3 - benzodioxol - 5 - yl) cyclopropyl] carbonyl] amino] - 3 - methyl - 2 - pyridinyl] "part, the 6-position pyridine ring is connected with a series of substituents. Among them, the" [[1 - (2,2 - difluoro - 1,3 - benzodioxol - 5 - yl) cyclopropyl] carbonyl] "connected by amide bonds is a carbonyl structure containing difluorobenzodioxane and cyclopropyl. The 3rd position of the pyridine ring has methyl substitution.
And "1,1-dimethylethyl ester" indicates that the carboxyl group of benzoic acid forms an ester bond with the tert-butyl group.
In summary, the chemical structure of this compound is complex. It is formed by linking benzoic acid to a specific substituted pyridine derivative through an ester bond. The pyridine ring has a carbonyl substituent containing difluorobenzodioxane and cyclopropyl, and the pyridine ring is also modified with methyl. This structure is unique and may have special properties and uses in chemical research.
What are the main physical properties of "Benzoic acid, 3- [6- [[1- (2,2-difluoro-1,3-benzodioxol-5-yl) cyclopropyl] carbonyl] amino] -3-methyl-2-pyridinyl] -, 1,1-dimethylethyl ester"?
The name "benzoic acid - 3 - [6 - [[1 - (2,2 - difluoro - 1,3 - benzodioxane - 5 - yl) cyclopropyl] carbonyl] amino] - 3 - methyl - 2 - pyridyl] - 1,1 - dimethyl ethyl ester", its physical properties are particularly important, and it is related to the performance of many applications.
When it comes to appearance, it is often a white to off-white solid powder. Its quality is delicate and pure, like frost and snow falling on the world, laying the foundation for its application.
In terms of melting point, the melting point of this compound is in a specific range, about between [X] ° C and [X] ° C. The melting point characteristics of its separation, purification and preparation are extremely critical. If the heat is inaccurate, it is like the ancient method of alchemy. If it is too high, it will damage its properties, and if it is not as good, it will not achieve the required purity.
The solubility cannot be ignored. In organic solvents, such as dichloromethane, N, N-dimethylformamide, etc., it has good solubility, just like fish getting water and can be evenly dispersed in it; however, in water, the solubility is very small, like oil droplets entering water, it is difficult to blend. This property affects its reaction and application in different media. The density of
is [X] g/cm ³, which determines its space occupation and distribution in the mixed system. It is like dividing the territory in the microscopic world, which affects the chemical reaction process and product form it participates in.
In terms of stability, under conventional environmental conditions, it has certain stability. In case of extreme conditions such as strong acid, strong alkali or high temperature, it is like being in a chaotic world, the structure is easily damaged, and chemical changes occur. Therefore, it is necessary to be careful when storing and using, and choose a suitable environment for proper placement.
Where is "Benzoic acid, 3- [6- [[1- (2,2-difluoro-1,3-benzodioxol-5-yl) cyclopropyl] carbonyl] amino] -3-methyl-2-pyridinyl] -, 1,1-dimethylethyl ester" used?
This is an organic compound named "3- [6- [[1 - (2,2 - difluoro - 1,3 - benzodioxacyclopentene - 5 - yl) cyclopropyl] carbonyl] amino] - 3 - methyl - 2 - pyridyl] benzoic acid 1,1 - dimethyl ethyl ester". It is widely used in the field of pharmaceutical research and development. Due to its special structure, it has specific chemical and biological properties, or can be used to create new drugs to deal with various diseases.
Concept of medicinal chemistry, such complex compounds are often carefully designed and synthesized to achieve specific pharmacological activities. For example, it can precisely act on specific targets in the body, or it is an inhibitor of enzymes, blocking specific biochemical reactions to relieve or cure diseases.
In the field of pesticide research, it may also show effectiveness. Or by virtue of its unique chemical structure, it has the ability to inhibit or kill pests or pathogens, and is more targeted and has less impact on the environment than traditional pesticides.
Furthermore, in the field of materials science, such compounds may endow materials with specific properties due to their special structures. For example, they can be used to prepare materials with special optical, electrical or mechanical properties, contributing to the development of materials science.
This compound has potential applications in various fields such as medicine, pesticides, and materials science. With in-depth research, it is expected to generate many innovative results.
What is the preparation method of "Benzoic acid, 3- [6- [[1- (2,2-difluoro-1,3-benzodioxol-5-yl) cyclopropyl] carbonyl] amino] -3-methyl-2-pyridinyl] -, 1,1-dimethylethyl ester"?
To prepare "Benzoic acid, 3- [6- [[1 - (2,2 - difluoro - 1,3 - benzodioxol - 5 - yl) cyclopropyl] carbonyl] amino] - 3 - methyl - 2 - pyridinyl] -, 1,1 - dimethylethyl ester", the method is as follows:
first take the appropriate starting material, one of which contains 2,2 - difluoro - 1,3 - benzodioxane - 5 - group cyclopropyl structure, and the other has a 3 - methyl - 2 - pyridyl structural unit. The cyclopropyl-containing compound is reacted with an appropriate acylating reagent to introduce a carbonyl group to the cyclopropyl group, and then condensation reaction occurs with the compound containing 3-methyl-2-pyridyl to construct the key intermediate containing amide bonds.
In this process, attention should be paid to the precise control of the reaction conditions, such as temperature, pH and reaction time. If the temperature is too high or too low, the reaction rate may be abnormal, or by-products may be formed. Improper pH will also affect the selectivity and yield of the reaction.
Wait for the key intermediate to be obtained, and then make it esterified with the reagent containing 1,1-dimethylethyl. This step also requires attention to the reaction conditions to ensure the smooth progress of the esterification reaction and obtain the crude product of the target product.
The crude product also needs to go through the purification process, which can be used by recrystallization, column chromatography and other methods to remove impurities and improve the purity of the product. Finally, high purity "Benzoic acid, 3 - [6 - [[1 - (2,2 - difluoro - 1,3 - benzodioxol - 5 - yl) cyclopropyl] carbonyl] amino] - 3 - methyl - 2 - pyridinyl] -, 1,1 - dimethylethyl ester". The whole process requires fine operation in all steps to obtain qualified products.
How safe and toxic is "Benzoic acid, 3- [6- [[1- (2,2-difluoro-1,3-benzodioxol-5-yl) cyclopropyl] carbonyl] amino] -3-methyl-2-pyridinyl] -, 1,1-dimethylethyl ester"?
Guanfu "Benzoic acid, 3- [6- [[1 - (2,2 - difluoro - 1,3 - benzodioxol - 5 - yl) cyclopropyl] carbonyl] amino] - 3 - methyl - 2 - pyridinyl] -, 1,1 - dimethylethyl ester" This product is related to the safety of living beings and the tranquility of the environment in terms of safety and toxicity. It must be observed.
In this world, there is no detailed safety and toxicity of this substance. It is difficult to determine the details based on empty words alone. In common sense, organic compounds are involved in complex properties. Its fluorine atoms, fluorine, are active, and have a great impact on the stability and biological activity of the compound. Or because of its unique structure, it has a specific effect on the molecules of the organism.
If it is toxic, it may be potentially harmful. The heterocyclic and ester groups in its structure may interfere with the normal biochemical process when metabolized in the organism. Such as ester groups can be hydrolyzed, and the released substances may combine with macromolecules such as proteins and nucleic acids in the body, causing changes in cell function. The heterocyclic part may also interact with specific receptors, disrupting the order of physiology.
As for the safety, it also needs to be tested in many ways. In the environment, the difficulty of its degradation is unknown. If it is difficult to degrade, it will accumulate in water and soil, enter the biological chain, and harm the ecological balance. And contact with people, percutaneous absorption, respiratory intake and other pathways are all potentially dangerous. Therefore, in order to understand its safety and toxicity, it is necessary to use scientific experiments and rigorous measures to obtain its true appearance, so as to ensure that people are born in a worry-free place.