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What is the chemical structure of (1R, 2R, 4R) -4- [ (2,2,2 -trifluoroacetyl) amino] -2 -hydroxycyclohexylbenzene thiocarboxylate?
The chemical structure of (1R, 2R, 4R) -4- [ (2,2,2-trifluoroethyl) amino] -2-methoxy cyclohexylbenzenesulfonate is an interesting topic in the field of organic chemistry.
In the structure of this compound, (1R, 2R, 4R) characterizes its stereochemical configuration, which has a great influence on its chemical and physical properties. In the spatial arrangement, the atoms are arranged in order according to this specific configuration, giving the compound a unique spatial conformation.
4 is connected to [ (2,2,2-trifluoroethyl) amino], trifluoroethyl has strong electron-withdrawing properties and is connected to the main chain through the amino group. The existence of this structural fragment significantly changes the electron cloud distribution of the molecule, which in turn affects the polarity and reactivity of the compound. As a nucleophilic check point, amino groups can participate in a variety of chemical reactions. The strong electron-withdrawing effect of trifluoroethyl reduces the electron cloud density of amino groups, and the regulation of their reactivity cannot be ignored. The methoxy group at the
2 position, the methoxy group is the power supply subgroup, which is connected to the cyclohexyl group, can increase the electron cloud density on the ring. The introduction of this substituent alters the electronic environment of the cyclohexyl group and also plays an important role in the stability and reactivity of the whole molecule. Its electron charge properties can increase the electron cloud density of ortho or para-site, which affects the regioselectivity of electrophilic substitution reactions.
Cyclohexyl is connected to benzenesulfonate, which is a good leaving group and is easy to leave in nucleophilic substitution and other reactions, making the compound an important intermediate in organic synthesis. Cyclohexyl provides a certain rigid structure, which affects the spatial conformation and physical properties of molecules.
Overall, the chemical structure of this compound, the interaction of various parts, together determine its unique chemical and physical properties, and may have potential application value in organic synthesis, medicinal chemistry and other fields.
What are the main uses of (1R, 2R, 4R) -4- [ (2,2,2 -trifluoroacetyl) amino] -2 -hydroxycyclohexylbenzene thiocarboxylate?
(1R, 2R, 4R) - 4- [ (2,2,2-trifluoroethoxy) amino] - 2-furanylcyclohexylbenzoate, which is an organic compound. Its main uses are wide, in the field of medicine, or can act as a pharmaceutical intermediate. Due to the specific spatial configuration and functional group of the molecular structure, it can supply key structural fragments for drug synthesis, and connect other active groups through chemical reactions to construct drug molecules with specific pharmacological activities. In the field of materials science, it can be used to prepare functional materials. Its unique chemical structure or endows materials with special properties, such as optical and electrical properties, such as the preparation of materials with specific photoluminescence properties, for optical display and so on. In the field of organic synthesis, as an important intermediate, it can participate in many organic reactions. By modifying and transforming its structure, more complex and diverse organic compounds can be synthesized, which can help the research and development of organic synthetic chemistry. By rationally designing the reaction route and using the structural characteristics of the substance, carbon-carbon bonds, carbon-heteroaryl bonds, etc. can be effectively constructed, enriching the types and structures of organic compounds.
What is the method of synthesis of (1R, 2R, 4R) -4- [ (2,2,2 -trifluoroacetyl) amino] -2 -hydroxycyclohexylbenzene thiocarboxylate?
The synthesis of (1R, 2R, 4R) -4- [ (2,2,2-trifluoroethoxy) amino] -2-cyanocyclohexylbenzoate ethyl ester is a key research direction in the field of organic synthetic chemistry. To synthesize this compound, the following methods can be followed:
First, the molecular framework is gradually built through a well-designed reaction route with suitable starting materials. First prepare cyclohexane derivatives containing (1R, 2R, 4R) -4-position specific substituents. This step requires precise control of reaction conditions and stereochemistry. The chiral reaction can be used to ensure that the configuration of each chiral center on the cyclohexane meets the requirements of (1R, 2R, 4R).
For the introduction of [ (2,2,2-trifluoroethoxy) amino] group, nucleophilic substitution reaction can be used. Select an appropriate reagent containing trifluoroethoxy group to react with the specific leaving group in the prepared cyclohexane derivative. Pay attention to the activity of the reagent, the control of the reaction temperature and time during the reaction to avoid side reactions.
The introduction of 2-cyano group can be achieved by cyanidation. Using a suitable cyanide reagent, under a suitable catalyst and reaction environment, the cyanyl group is successfully connected to a specific position in the cyclohexane skeleton. This process requires attention to the toxicity of the cyanide reagent and the safety of the reaction.
Finally, the ethyl benzoate part is formed, which can be achieved by esterification reaction. Select benzoic acid and the corresponding alcohol, and react under acid catalysis or other suitable conditions to form the ethyl benzoate structure of the target product. After the reaction is completed, it needs to be separated and purified to obtain high-purity (1R, 2R, 4R) -4- [ (2,2,2-trifluoroethoxy) amino] -2-cyanohexyl benzoate ethyl.
Each step in the synthesis of this compound requires fine regulation of reaction conditions, attention to stereochemistry and reaction selectivity, in order to achieve the purpose of efficient and accurate synthesis.
What are the physical properties of (1R, 2R, 4R) -4- [ (2,2,2 -trifluoroacetyl) amino] -2 -hydroxycyclohexylbenzene thiocarboxylate?
(1R, 2R, 4R) -4- [ (2,2,2-trifluoroethoxy) amino] -2-furanylcyclohexylbenzoate methyl ester has the following physical properties:
The properties of this compound are mostly stable solid or viscous liquid at room temperature and pressure. Its melting point is closely related to the intermolecular force, and its melting point is within a specific range due to the arrangement and interaction of atoms in the molecule. However, the exact melting point value will vary depending on the presence or absence of impurities and the difference in measurement methods.
In terms of solubility, the molecule contains polar (2,2,2-trifluoroethoxy) amino, furan and non-polar cyclohexyl and methyl benzoate parts. In polar solvents such as ethanol and acetone, the interaction between polar groups and solvent molecules shows a certain solubility; in non-polar solvents such as n-hexane and toluene, the non-polar part interacts with solvent molecules and also has a certain solubility. However, overall, its solubility in various solvents needs to be determined according to specific experiments.
The density of this compound is determined by its molecular weight and the degree of molecular accumulation. The characteristics of molecular structure make the intermolecular accumulation have specific laws, which in turn determine the density. However, due to environmental factors such as temperature and pressure, the density will also change.
As for its boiling point, the strength of the intermolecular force plays a key role. It contains a variety of functional groups, and there are hydrogen bonds, van der Waals forces and other interactions between molecules, which require high energy to overcome the attractive forces between molecules in order to transform from liquid to gaseous state, so the boiling point is relatively high. However, the specific boiling point value still needs to be determined by precise experimental measurement.
The physical properties of this compound are affected by the synergy of various groups in the molecular structure, and will change under different environmental conditions. The specific property data needs to be obtained through rigorous experimental measurement.
What is the market prospect of (1R, 2R, 4R) -4- [ (2,2,2-trifluoroacetyl) amino] -2-hydroxycyclohexylbenzene thiocarboxylate?
What is the market prospect of (1R, 2R, 4R) -4- [ (2,2,2-trifluoroethoxy) amino] -2-furanylcyclohexylbenzoate methyl ester?
This compound has potential opportunities in the fields of medicine and chemical industry. In medicine, with its unique molecular structure or specific biological activity, it can be used as a lead compound for the development of novel drugs. In the pharmaceutical industry, the development of new drugs often relies on such unique structures to find substances with high affinity and selectivity for specific disease targets. If its pharmacological activity can be deeply explored, or specific drugs for difficult diseases can be developed, the future may be bright.
In the chemical industry, it can be used as a synthetic building block for functional materials. In today's material science, there is an increasing demand for materials with special properties. This compound may endow the material with unique physical and chemical properties due to the fluorine atom, furan group and other groups it contains, such as enhancing the stability of the material, corrosion resistance, etc. Therefore, it may be able to emerge in the field of high-end material R & D and manufacturing.
However, its market prospects are not entirely smooth. R & D costs are a major challenge. From basic research to pre-clinical research to clinical trials, huge funds and a long time are required. And the market competition is fierce. If similar compounds have already occupied the market first, they need to highlight their own advantages if they want to stand out. Furthermore, regulations and policies also have an impact. Drug research and development must strictly follow regulatory requirements, and the approval process is complicated. If there is a slight error, the listing process will be delayed.
To sum up, (1R, 2R, 4R) -4- [ (2,2,2-trifluoroethoxy) amino] -2 -furanylcyclohexylbenzoate methyl ester has potential, but in order to open up a broad market, it is still necessary to overcome many difficulties and seize opportunities accurately.