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What is the chemical structure of (2R, 3S) -2- [ (1R) -1- [3,5-bis (trifluoromethyl) phenyl] ethoxy] -3- (4-fluorophenyl) morpholine 4-methylbenzenesulfonate?
This is the description of the chemical structure of an organic compound. According to its name, its structure can be inferred as follows: The compound has a specific three-dimensional configuration. At the (2R, 3S) position, there is a group connected at the 2nd position. This group is (1R) -1- [3,5-bis (trifluoromethyl) phenyl] ethoxy, with (4-fluorophenyl) at the 3rd position and methylbenzofuranone at the 4th position.
From the naming, it can be seen that the three-dimensional chemical structure of this compound is clear, and the labels (2R, 3S) and (1R) indicate the spatial arrangement of specific atoms. " Bis (trifluoromethyl) phenyl "" fluorophenyl "" methyl benzofuranone ester "and other groups indicate that it is composed of a specific benzene ring and groups containing fluorine and ester groups. This structure endows the compound with unique chemical and physical properties. It may have specific uses and reactive activities in organic synthesis, pharmaceutical chemistry and other fields, or can participate in specific chemical reactions and exhibit special pharmacological activities. Although its structure image has not been seen in person, it is named in detail according to this, and organic chemists can roughly outline its chemical structure.
What are the physical properties of (2R, 3S) -2- [ (1R) -1- [3,5-bis (trifluoromethyl) phenyl] ethoxy] -3- (4-fluorophenyl) morpholine 4-methylbenzene sulfonate?
(2R, 3S) - 2 - [ (1R) - 1 - [3,5 - bis (trifluoromethyl) phenyl] ethoxy] - 3 - (4 - fluorophenyl) morpholine - 4 - methylbenzoate This compound is a substance with a specific structure in the field of organic chemistry. Its physical properties are quite critical, related to its performance in various chemical reactions and practical applications.
Looking at its melting point, the melting point of this compound is in a certain range due to the interaction of various groups in the molecule, forming a specific intermolecular force. However, in order to know this range exactly, it needs to be determined by precise experiments. Due to the presence of groups such as benzene ring, fluorine atom and ester group, or the increase of intermolecular force, the melting point is increased.
When it comes to solubility, because its structure contains both hydrophobic groups such as fluorophenyl groups, and groups such as ester groups that can weakly participate in hydrogen bonding, it may show a certain solubility difference in organic solvents. In polar organic solvents, such as ethanol, or due to the weak interaction between ester groups and ethanol, there is a certain solubility; in non-polar organic solvents, such as n-hexane, due to the similar miscibility principle between hydrophobic groups and non-polar solvents, there may also be a certain solubility.
As for the density, it is determined by the compactness of the molecular structure and the relative mass of the atoms. The combination of benzene ring, fluorine atom and methyl group makes the molecular mass increase and the structure has a certain compactness. However, the exact density value still needs to be based on experimental measurements.
In addition, the stability of the compound is also an important physical property. The ester group in the structure is partially hydrolyzed under acid or alkali conditions, which affects its stability. The presence of benzene ring and fluorine atom may enhance the resistance of the molecule to oxidation and other reactions.
What is the use of (2R, 3S) -2- [ (1R) -1- [3,5-bis (trifluoromethyl) phenyl] ethoxy] -3- (4-fluorophenyl) morpholine 4-methylbenzenesulfonate?
(2R, 3S) - 2 - [ (1R) - 1 - [3,5 - bis (trifluoromethyl) phenyl] ethoxy] - 3 - (4 - fluorophenyl) morpholine - 4 - methylbenzoate The use of this substance is just like what "Tiangong Kaiwu" said, when looking for its structure and characteristics.
Looking at its structure, it is complex and delicate, and the groups are connected to each other. (2R, 3S) and other three-dimensional configurations are identified, and their spatial arrangement is of great significance in chemical reactions and biological activities. Fluorine-containing groups, such as 3,5-bis (trifluoromethyl) phenyl and 4-fluorophenyl, have high electronegativity of fluorine atoms, can change the distribution of molecular electron clouds, increase fat solubility, facilitate its penetration of biological membranes, or for drug research and development, can make drugs more accessible targets.
Ethoxy groups are attached to specific chiral carbons, or affect molecular stability and reactivity. Morpholine ring structure, commonly found in a variety of biologically active molecules, or provide a check point for binding to biological macromolecules. Methylbenzoate moiety, ester group has hydrolytic properties, can be broken under suitable conditions, or used in controlled release drug systems. In summary, this compound can be used as a drug lead compound in the field of medicine, modified and optimized to develop drugs for the treatment of specific diseases; or in the field of materials science, with its unique structure and properties, it can be used as a special material additive to improve the surface properties and stability of materials.
What is the synthesis method of (2R, 3S) -2- [ (1R) -1- [3,5-bis (trifluoromethyl) phenyl] ethoxy] -3- (4-fluorophenyl) morpholine 4-methylbenzene sulfonate?
To prepare (2R, 3S) - 2 - [ (1R) - 1 - [3,5 - bis (trifluoromethyl) phenyl] ethoxy] - 3 - (4 - fluorophenyl) morpholine - 4 - methylbenzoic anhydride, the method is as follows:
First take an appropriate amount of (1R) - 1 - [3,5 - bis (trifluoromethyl) phenyl] ethanol, place it in a clean reaction vessel, add a suitable base, stir to dissolve it evenly. Subsequently, the halogenated ethoxy-containing reagent was slowly added dropwise to control the reaction temperature and dropwise rate to fully react to obtain (1R) -1- [3,5-bis (trifluoromethyl) phenyl] ethoxy intermediates. After separation and purification, the pure intermediate was obtained.
Take another 3- (4-fluorophenyl) morpholine-4-formaldehyde, place it in another reaction vessel, add a specific reducing agent, and reduce it to the corresponding alcohol at a suitable temperature and reaction conditions. The alcohol was oxidized to 3- (4-fluorophenyl) morpholine-4-carboxylic acid with a suitable oxidizing agent.
Then, the obtained (1R) -1 - [3,5 - bis (trifluoromethyl) phenyl] ethoxy intermediate and 3 - (4 - fluorophenyl) morpholine - 4 - formic acid are mixed in the reaction system, an appropriate amount of condensation agent and catalyst are added, and the condensation reaction between the two is promoted at a suitable temperature and reaction environment to generate (2R, 3S) - 2 - [ (1R) - 1 - [3,5 - bis (trifluoromethyl) phenyl] ethoxy] - 3 - (4 - fluorophenyl) morpholine - 4 - Formic acid.
Finally, the formic acid product is mixed with acetic anhydride, an appropriate amount of catalyst is added, and the reaction is heated to carry out the acylation reaction between the two, thereby obtaining (2R, 3S) - 2 - [ (1R) - 1 - [3,5 - bis (trifluoromethyl) phenyl] ethoxy] - 3 - (4 - fluorophenyl) morpholine - 4 - methylbenzoic anhydride. After the reaction, a series of operations such as separation and purification were performed to obtain high-purity target products.
What are the safety precautions for (2R, 3S) -2- [ (1R) -1- [3,5-bis (trifluoromethyl) phenyl] ethoxy] -3- (4-fluorophenyl) morpholine 4-methylbenzene sulfonate?
(2R, 3S) 2- [ (1R) -1- [3,5-Bis (trifluoromethyl) phenyl] ethoxy] -3- (4-fluorophenyl) morpholine-4-methylbenzoate is an organic compound. Its safety precautions are very important, related to the safety of the operator and the smooth operation of the experiment.
First, this substance may be toxic. Contact with skin, eyes, or inhalation or ingestion can cause damage to the body. Therefore, during operation, appropriate protective equipment, such as gloves, goggles and masks, must be worn to prevent contact and inhalation.
Second, pay attention to its chemical activity. or react violently with specific substances, causing dangerous conditions. Before use, be sure to understand its chemical properties and avoid mixing with incompatible substances.
Third, storage should also be cautious. It should be stored in a cool, dry and well-ventilated place, away from fire sources and oxidants, to prevent deterioration and dangerous reactions.
Fourth, in the operating environment, it is necessary to prepare emergency equipment and flushing facilities. In case of inadvertent contact, emergency treatment can be carried out immediately.
Finally, after the operation is completed, properly dispose of the residue and waste, in accordance with relevant environmental regulations, to avoid environmental pollution.
In short, when handling (2R, 3S) -2- [ (1R) -1- [3,5-bis (trifluoromethyl) phenyl] ethoxy] -3- (4-fluorophenyl) morpholine-4-methylbenzoate, adhere to safety procedures and pay attention to all details to ensure personnel safety and normal testing.