What is the chemical structure of (±) -1-Benzyl-4- (4-fluoro-phenyl) -3-hydroxymethyl-1,2,3, 6-tetrahydro-pyridine, salt with benzenesulfonic acid?

The salt of (±) -1 -benzyl-4- (4-fluorophenyl) -3-hydroxymethyl-1,2,3,6-tetrahydropyridine and benzenesulfonic acid has the following chemical structure:

The main body of this compound is a 1,2,3,6-tetrahydropyridine ring, which is connected to a benzyl group in the first position of the pyridine ring, that is, a benzyl group (-CH -2-phenyl ring), and is connected to a 4-fluorophenyl group at the 4th position (the 4-position on the phenyl ring is replaced by a fluorine atom), and there is a hydroxymethyl group (-CH -2 OH) at the 3rd position. The whole (±) -1 -benzyl-4- (4 -fluorophenyl) -3 -hydroxymethyl-1,2,3,6 -tetrahydropyridine, as an organic base part, reacts with benzenesulfonic acid (benzene ring-SO-H) to form a salt. During the salt formation process, the lone pair electrons of the nitrogen atom on the tetrahydropyridine ring combine with the hydrogen atom of the benzenesulfonic acid, and the sulfonate (-SO-O) forms an ionic bond with the positively charged nitrogen-containing group, thus forming the structure of this salt compound. This structure contains both organic groups containing nitrogen heterocyclic and aromatic rings, and the sulfonate ion is introduced through salt formation, which endows the compound with unique physical and chemical properties.

What are the physical properties of (±) -1-Benzyl-4- (4-fluoro-phenyl) -3-hydroxymethyl-1,2,3, 6-tetrahydro-pyridine, salt with benzenesulfonic acid?

(±) -1 -benzyl-4- (4 -fluorophenyl) -3 -hydroxymethyl-1,2,3,6 -tetrahydropyridyl benzene sulfonate, the physical properties of this substance are as follows:

Its appearance may appear as a crystalline solid, which is a common physical form of many organic salt compounds. In terms of solubility, its solubility in organic solvents varies depending on the properties of the solvent. Generally speaking, for polar organic solvents, such as ethanol, methanol, etc., the molecule contains polar hydroxyl groups, sulfonate groups and other groups, so that the compound may have a certain solubility. However, in non-polar solvents, such as n-hexane, benzene, etc., the solubility is expected to be low because the molecule as a whole is not completely non-polar.

Melting point is one of the important physical properties of a substance. The compound will have a specific melting point range, and its purity can be preliminarily judged by melting point determination. If the purity is high, the melting point range is relatively narrow; if it contains impurities, the melting point may be reduced and the melting point range widened.

From the density point of view, because the molecular structure contains a variety of atoms and groups, the density will have corresponding values, but the specific values need to be accurately determined by experiments. Density has an important impact on the distribution of substances in solution and their behavior when mixed with other substances.

In addition, the stability of the compound is also related to physical properties. Under normal temperature and pressure, if the molecular structure is relatively stable, it can maintain its chemical composition and structure unchanged for a certain period of time. However, under special conditions such as high temperature, high humidity or light, decomposition or other chemical reactions may occur, which may affect its physical properties.

What are the chemical properties of (±) -1-Benzyl-4- (4-fluoro-phenyl) -3-hydroxymethyl-1,2,3, 6-tetrahydro-pyridine, salt with benzenesulfonic acid?

(±) -1 -benzyl-4- (4 -fluorophenyl) -3 -hydroxymethyl-1,2,3,6 -tetrahydropyridyl benzene sulfonate, which is a salt of an organic compound. Its chemical properties are unique and valuable for investigation.

Looking at its structure, the pyridine ring is the core, with benzyl at 1 position, 4-fluorophenyl at 4 position, and hydroxymethyl at 3 position, forming a salt with benzene sulfonate. Due to the existence of the pyridine ring, the compound is endowed with a certain alkalinity and can form salts with acids. This salt is relatively stable under specific conditions.

In terms of physical properties, it is usually a solid, and its melting point, solubility and other properties are affected by intermolecular forces. Because its molecules contain hydrophobic groups such as benzene rings and fluorine atoms, as well as hydrophilic groups such as hydroxymethyl groups, the solubility in organic solvents and water may show a specific law. In organic solvents, such as ethanol, acetone, etc., the action of benzene rings and hydrophobic groups may have a certain solubility; in water, the hydrophilic properties of hydroxymethyl groups may cause compounds to dissolve to a certain extent, but the overall solubility is also related to the characteristics of salts.

In terms of chemical reactivity, hydroxymethyl can participate in many reactions, such as oxidation reactions can be converted into aldehyde or carboxyl groups; benzyl and benzene rings can undergo substitution reactions, which are affected by the positioning effect of substituents, and the substitution reaction check point may be selective. Although fluorine atoms are relatively stable, they may also participate in the reaction under certain strong reaction conditions. Due to its special structure, this compound may have potential uses in organic synthesis, pharmaceutical chemistry and other fields. It can be used as an intermediate to construct compounds with more complex structures, providing important materials for research and application in related fields.

What is the use of (±) -1-Benzyl-4- (4-fluoro-phenyl) -3-hydroxymethyl-1,2,3, 6-tetrahydro-pyridine, salt with benzenesulfonic acid?

(±) -1-benzyl-4- (4-fluorophenyl) -3-hydroxymethyl-1,2,3,6-tetrahydropyridyl benzenesulfonate, which is widely used. In the field of pharmaceutical research and development, it is often a key intermediate. Due to its unique structure and specific chemical activities and pharmacological properties, it can be used in organic synthesis through various reaction pathways and ingeniously spliced with other compounds to derive new drug molecules with different pharmacological activities. It is expected to be used in the treatment of diseases, such as for some specific diseases, by regulating the physiological mechanism in the body, to achieve therapeutic effect.

In the field of organic chemistry research, it can also be used as a model compound. Researchers have used it to explore various reactions, such as nucleophilic substitution, redox, etc., to gain insight into the reaction mechanism, clarify the influence of different reaction conditions on the reaction process and products, and provide an important reference for the theoretical development and practical optimization of organic synthetic chemistry.

In the field of materials science, if it is integrated into a specific material system, it may endow the material with unique properties. For example, the introduction of this compound in some polymer materials may change the physical and chemical properties of the material, such as solubility, thermal stability, optical properties, etc., thereby broadening the application range of the material to meet the needs of different scenarios.

What is the synthesis method of (±) -1-Benzyl-4- (4-fluoro-phenyl) -3-hydroxymethyl-1,2,3, 6-tetrahydro-pyridine, salt with benzenesulfonic acid?

(±) -1 -benzyl-4- (4-fluorophenyl) -3-hydroxymethyl-1,2,3,6-tetrahydropyridine and benzenesulfonic acid. The synthesis method is as follows:
The starting material is selected from a pyridine derivative with a specific structure. The benzyl group is connected to the pyridine ring, and there is a 4-fluorophenyl group at the 4th position of the pyridine ring and a hydroxymethyl group at the 3rd position. The pyridine derivative is first mixed with a base, such as potassium carbonate, in a suitable organic solvent such as N, N-dimethylformamide, and stirred evenly. This step aims to activate a specific site in the pyridine derivative.
Then, add benzyl halide, benzyl halide such as benzyl bromide, react at a certain temperature, the temperature is about 50-80 ℃, and continue to stir during the reaction to connect the benzyl group to the pyridine derivative to generate 1-benzyl-4- (4-fluorophenyl) -3-hydroxymethyl-1,2,3,6-tetrahydropyridine.
After this step of reaction is completed, the reaction system is cooled, the reaction solution is poured into water, extracted with an organic solvent such as ethyl acetate, the organic phase is separated, dried with anhydrous sodium sulfate, and then the solvent is removed by distillation under reduced pressure to obtain a crude product. The crude product was purified by column chromatography to obtain pure 1-benzyl-4- (4-fluorophenyl) -3-hydroxymethyl-1,2,3,6-tetrahydropyridine.
Then mix the purified product with benzenesulfonic acid in a suitable ratio, such as 1:1.2-1:1.5, in a suitable solvent such as ethanol, and heat and stir to fully react the two at a temperature of about 60-80 ° C. After the reaction is completed, the reaction liquid is cooled, solids are precipitated, filtered with suction, and the solids are washed with cold ethanol. After drying, (±) -1 -benzyl-4- (4 -fluorophenyl) -3 -hydroxymethyl-1,2,3,6 -tetrahydropyridine and benzenesulfonic acid are obtained.