benzyl-(3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate ptsa salt

The chemical structure of benzyl- (3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid p-toluenesulfonate is an interesting topic in the field of organic chemistry. In this compound structure, the benzyl part is composed of a phenyl linked methylene, and its phenyl group has aromatic properties, which can endow molecules with specific physical and chemical properties. It is often used as a protective group in organic reactions or participates in electrophilic substitution reactions.
(3S) - 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid part, tetrahydroisoquinoline ring is the core structure, with multiple chiral centers, the specific (3S) configuration here determines the molecular spatial arrangement, which has a profound impact on its biological activity and chemical reaction selectivity. The carboxylic acid groups on the ring are acidic and can participate in many reactions such as salt formation and esterification, introducing reactive activity check points for molecules.
And the p-toluenesulfonate part, the p-toluenesulfonate ion forms a salt with the above nitrogen-containing base. P-toluenesulfonate has good separation properties. In organic synthesis, this salt form can increase the stability and solubility of the compound, and also affect the reaction mechanism and product configuration.
Overall, the structure of this compound fuses a variety of functional groups and structural units, and the interaction of each part gives it unique chemical properties and potential application value. It may have important uses in pharmaceutical chemistry, organic synthesis and other fields.

Benzyl- (3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid p-toluenesulfonate, which is widely used. In the field of medicine, it may be a key intermediate to help create specific neurological drugs. The structure of tetrahydroisoquinoline may have potential activity in neurotransmitter regulation and nerve cell protection. Drugs synthesized from this may be able to deal with neurodegenerative diseases such as Parkinson's disease. By modulating neurotransmitters, it can relieve symptoms and improve the condition.
In the field of organic synthesis, it can be used as a key building block to build complex and bioactive molecular structures. Due to its benzyl and tetrahydroisoquinoline parts, it can be modified by various chemical reactions, expanding the path for the synthesis of unique organic compounds, helping scientists to explore novel bioactive molecules, develop innovative drugs and functional materials.
In the field of materials science, it may participate in the preparation of materials with special properties. For example, by combining with other materials, materials are endowed with unique optical, electrical or mechanical properties, emerging in optoelectronic materials, sensor materials, etc., injecting new vitality into the development of materials science, and promoting technological innovation and progress in related fields.

To prepare benzyl- (3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid p-toluenesulfonate, the method is as follows:
First take (3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, which is the key starting material. Place it in a suitable reaction vessel and add an appropriate amount of organic solvent, such as dichloromethane, chloroform, etc., to disperse the raw materials uniformly and create a good reaction environment. < Br > Then, slowly add benzyl alcohol, benzyl alcohol and (3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid The molar ratio should be precisely adjusted, usually about 1.1-1.3:1, this ratio can make the reaction more complete. At the same time, add appropriate catalysts, such as concentrated sulfuric acid, p-toluenesulfonic acid, etc., to accelerate the esterification process. The reaction temperature needs to be carefully controlled, generally maintained between 40-60 degrees Celsius. In this temperature range, the reaction rate and product selectivity are ideal. The reaction process can be monitored by thin layer chromatography (TLC) until the raw material point is basically eliminated, indicating that the esterification reaction is generally completed.
After the esterification reaction is completed, the reaction solution is cooled to room temperature and washed with an appropriate amount of sodium bicarbonate solution to neutralize the excess catalyst and remove acidic impurities. Then the liquid is separated, the organic phase is retained, and then dried with anhydrous sodium sulfate to remove the moisture in the organic phase. After filtering and removing the desiccant, the organic solvent is distilled under reduced pressure to recover the crude product of benzyl- (3S) - 1,2,3,4-tetrahydroisoquinoline-3-carboxylate.
Then, the crude product is purified. Pure benzyl- (3S) - 1,2,3,4 - tetrahydroisoquinoline - 3 - carboxylate can be obtained by column chromatography, using silica gel as the stationary phase, petroleum ether and ethyl acetate in a specific ratio to form a mobile phase.
Finally, p-toluenesulfonate is prepared. The obtained pure ester compound is dissolved in an appropriate amount of ether or ethanol, and the ether or ethanol solution of p-toluenesulfonate is slowly added dropwise. The molar ratio of p-toluenesulfonate to ester is about 1.05 - 1.2:1. Add it dropwise, stir for a period of time, and wait for the reaction to be sufficient to precipitate. The precipitate was collected by filtration, washed several times with cold ether, and dried in vacuum to obtain benzyl- (3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid p-toluenesulfonate.

Benzyl- (3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid p-toluenesulfonate, an organic compound. Its physicochemical properties are particularly important for its performance in various reactions and applications.
When it comes to physical properties, this substance may be in solid form at room temperature, because many of these organic salt compounds have high melting points and strong intermolecular forces. Its melting point can be accurately determined by experiments, and this value is crucial for the identification and purification of this substance. And its solubility in different solvents is also significant. In polar organic solvents, such as methanol and ethanol, or with a certain solubility, there are both polar groups in the molecular structure, which can form hydrogen bonds or other interactions with polar solvents; while in non-polar solvents, such as n-hexane, the solubility may be very low, due to the weak force between the non-polar solvent and the polar organic salt molecules.
Chemical properties, the benzyl moiety of the compound has certain stability, but under certain conditions, such as strong oxidation or reduction environments, or reactions occur. ( 3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid part, the carboxyl group can participate in the acid-base reaction, and neutralize with the base to form corresponding salts. This property is quite useful in preparing other derivatives or adjusting the pH of the reaction system. Although the p-toluene sulfonate part is relatively stable, under the action of some special reagents, the sulfonate may leave, triggering reactions such as nucleophilic substitution, providing the possibility for the synthesis of new compounds. Its chiral center (3S) endows the compound with unique stereochemical properties, which has potential application value in asymmetric synthesis and interaction with chiral receptors. It can participate in the chiral recognition process and selectively bind to specific chiral substrates, which in turn affects the stereochemical results of the reaction.

The market price of benzyl- (3S) -1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid p-toluenesulfonate is not easy to determine. This is a fine chemical, and the factors involved in its price are numerous.
First, the price of raw materials is different. The raw materials required for the synthesis of this product, if their sources and seasons are different, their prices vary. If the raw materials are rare or difficult to prepare, the price will increase, and the price of this product will also rise.
Second, the preparation art is unique. Sophisticated craftsmanship can improve productivity and reduce energy consumption, resulting in low cost and affordable price; if the craftsmanship is poor, the yield is low and the energy consumption is huge, the price will be high.
Third, the demand and supply situation is very different. If the market is prosperous and the supply is small, the price will be raised; if the supply is light and abundant, the price will be self-suppressing.
Fourth, the quality is poor. Those with high purity and excellent quality will always have a higher price than those who are inferior.
According to the current market conditions, the price per gram may be between tens of yuan and hundreds of yuan. However, this is only an approximate number, and the actual price should be determined according to the specific supplier, quantity and market conditions. If you want to know the exact price, you can consult the chemical industry in detail to obtain the best one.