What is the chemical structure of (6S) -N '-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride?

(6S) -N '-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride, which is an organic compound. In its molecular structure, the 1,3-benzothiazole ring is the core framework. The thiazole ring is constructed by a sulfur atom and a nitrogen atom co-located at the 1,3-position. On the benzothiazole ring, 4,5,6,7-tetrahydro characterizes that there are four hydrogen atoms in the benzene ring part participating in the cyclization reaction, so that the benzene ring is partially hydrogenated.

The 6-position is connected with the -N (H) -C (H _ 2) -2-C (H _ 3) structure, which is an N '-propyl group, in which the nitrogen atom is connected to the 6-position of the benzothiazole ring, and then extends out of the propyl chain. The 2-position is connected with the -NH _ 2 group, forming a diamine structure, that is, the 6-position and the 2-position each have an amino group.

In addition, the compound is a hydrate dihydrochloride salt, which means that there are water molecules in the structure of the compound bound to it, and there are two hydrochloride ions to form a salt with it. The formation of hydrate may be related to the crystallization habit and stability of the compound; while the form of dihydrochloride is due to the alkaline amino group in the molecule, which can react with hydrochloric acid to form corresponding salts, which may affect the solubility, stability and chemical activity of the compound. This structure endows the compound with specific chemical and physical properties, and may have specific uses in the fields of organic synthesis, medicinal chemistry, etc.

What is the main use of (6S) -N '-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride?

(6S) -N ′ -propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride, which is mostly used in the field of medicinal chemistry in this world.

Looking at its structure, it contains a special benzothiazole parent nucleus, and is connected with propyl and diamine groups. This unique structure gives it specific pharmacological activity. In the process of pharmaceutical research and development, it is often used as a key intermediate. For example, the creation of antibacterial drugs or the exploration of new anti-tumor drugs, all have their own shadows. Because its structure can fit with specific biological targets, interact with proteins, enzymes or receptors to modulate biochemical processes in organisms, or block the reproduction of pathogens, or inhibit the proliferation of tumor cells.

In the laboratory, researchers use it to build compound libraries, which are screened by high throughput to obtain lead compounds with high activity and selectivity, paving the way for the birth of new drugs. The hydrate and dihydrochloride forms are related to drug dissolution, stability and bioavailability. Hydrate can increase the stability and dissolution rate of compounds, while dihydrochloride improves its physicochemical properties, making it more suitable for preparation development and clinical application.

What are the physical properties of (6S) -N '-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride?

(6S) -N '-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride, which is an organic compound with specific physical and chemical properties.

Looking at its properties, under normal temperature and pressure, or white to off-white crystalline powder, because many similar organic salt compounds are in this state, its powder shape is conducive to subsequent processing and use.

When it comes to solubility, the compound may be easily soluble in water. Due to the molecular structure containing amine groups and hydrochloride parts, amino hydrochloride salts usually have good water solubility and can interact with water molecules to form hydrogen bonds, etc., so that the compound is dispersed in water.

In terms of melting and boiling point, since it is an organic salt and contains crystal water, the melting point may be affected by the presence of crystal water. The crystal water is lost during heating, and then the organic salt is partially melted, so the melting point may be within a certain range. It is speculated that the decomposition temperature may be hundreds of degrees Celsius. Due to the relatively stable structure of the compound, a higher energy is required to cause its chemical bonds to break.

Stability, in dry and cool places, the compound may exist stably. When encountering strong oxidizing agents, strong acids and bases, the amino groups, thiazole rings and other parts of the structure may react to cause it to deteriorate. Due to its alkaline amino group, it is easy to neutralize with strong acids; although the thiazole ring is stable, it may also open the ring or undergo substitution reactions under extreme conditions.

What is the synthesis method of (6S) -N '-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride?

The synthesis of (6S) -N '-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride is an important exploration in the field of chemical synthesis. The synthesis of this compound requires multiple delicate steps.

The selection of starting materials is crucial. It is often based on benzothiazole derivatives with a specific structure, and the structure needs to contain a modifiable check point to introduce the subsequent desired group.

The first step or involves the amination reaction at a specific position on the benzothiazole ring. This step requires the selection of suitable amination reagents, such as highly active amine compounds, and the reaction conditions need to be precisely controlled, such as temperature, reaction time and solvent selection. If the temperature is too high or side reactions occur, if it is too low, the reaction will be slow and the efficiency will be low.

Next step, the propyl group is introduced. This process can be achieved by alkylation reaction, and the appropriate propylation reagent is selected. With the help of the catalytic system, the propyl group is precisely connected to the target check point. The choice of catalytic system is related to the rate and selectivity of the reaction, or the combination of metal catalysts and their ligands can be used to improve the effectiveness of the reaction.

After the introduction of key groups, hydration and salt-forming reactions may be required to obtain the final hydrate dihydrochloride form. The hydration reaction needs to create a suitable hydration environment to allow water molecules to reasonably embed in the structure; the salt-forming reaction needs to control the amount of acid and reaction conditions to ensure that the purity and crystal form of the dihydrochloride are good.

During each step of the reaction, the separation and purification of the product cannot be ignored. Or column chromatography, recrystallization and other methods are used to remove impurities and obtain pure products, which lays a solid foundation for subsequent research and application. Thus, (6S) -N '-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride can be obtained by careful design and operation in multiple steps.

(6S) -N '-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride What are the precautions during use?

(6S) -N '-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine hydrate dihydrochloride, which is a rather special chemical substance. During use, many points need to be carefully paid attention to.

The first to bear the brunt, safety protection must be comprehensive. This compound may have certain irritation and potential toxicity. When operating, protective equipment such as gloves, goggles, and lab clothes should be worn properly to avoid direct contact with the skin and eyes. In case of accidental contact, rinse with plenty of water immediately and seek medical attention in time according to the specific situation.

Furthermore, accurate weighing and preparation should not be compromised. Due to its special chemical properties, the dosage is slightly deviated, or the experimental results may be fallacious. When weighing, it is necessary to use precise instruments and strictly follow the operating procedures.

Storage should also not be ignored. It should be placed in a dry, cool and well-ventilated place, away from fire sources and oxidants, to prevent chemical reactions. At the same time, it should be marked to prevent confusion and misuse.

In addition, the use environment should also be carefully controlled. The experimental site should have good ventilation facilities to prevent the accumulation of harmful gases.

Finally, the waste disposal after use must not be done at will. It is necessary to properly classify, collect and dispose of it in accordance with relevant regulations and laboratory regulations to avoid pollution to the environment.

Only by treating the above points with care can we ensure the safety and effectiveness of this chemical in use.