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What is the chemical structure of 1- (5-Isoquinolinesulfinyl) hexahydro-1H-1,4-diazepine hydrochloride?
This is the chemical structure analysis of 1- (5-isoquinolinesulfonyl) hexahydro-1H-1,4-diazepine hydrochloride.
The core structure of this compound is hexahydro-1H-1,4-diazepine. This hexahydro-diazepine ring is a ring of six atoms, which contains two nitrogen atoms and four carbon atoms. And this ring is in a saturated state, because they are all connected by single bonds and have no unsaturated characteristics of double bonds.
At one position of the ring, a 1- (5-isoquinolinesulfonyl) group is connected. Isoquinoline, originally a nitrogen-containing heterocyclic compound, is fused from a benzene ring and a pyridine ring. The isoquinoline here is connected to a sulfinyl group (ie -SO-group) at position 5, and this sulfinyl group is complex connected to a hexahydro-1H-1,4-diazepine ring.
Furthermore, this compound is still in the form of a hydrochloride salt, that is, in the whole structure, there is a salt ion bound to the organic part. This is because the nitrogen atom of the organic part has a lone pair electron, which can be combined with the dissociated hydrogen ion in hydrochloric acid to form a stable salt compound, thereby changing its physical and chemical properties, such as solubility. Thus, the complete chemical structure of 1- (5-isoquinoline sulfinyl) hexahydro-1H-1,4-diazepine hydrochloride is formed.
What are the physical properties of 1- (5-Isoquinolinesulfinyl) hexahydro-1H-1,4-diazepine hydrochloride?
1 - (5 -isoquinoline sulfinyl) hexahydro-1H-1,4 -diazepine hydrochloride, this is an organic compound. Its physical properties are quite important, and it is related to many chemical and practical applications.
Looking at its properties, it is often in the state of crystalline powder, delicate and regular, which is conducive to its operation and processing in many chemical reactions and industrial processes. Its color is mostly white to off-white, and its color is pure, indicating that its impurity content is very low and its quality is quite good. This property is of great significance in fields with strict purity requirements, such as pharmaceutical research and development. < Br >
Discuss solubility, this compound exhibits unique solubility properties in specific organic solvents. In common organic solvents such as methanol and ethanol, it has a certain solubility, which is convenient for its chemical synthesis and separation and purification. By selecting a suitable solvent, it can be efficiently treated and handled. In water, it also has a certain solubility, but the solubility may vary due to factors such as temperature and solution pH. This phenomenon provides various possibilities for its application in different environments.
Melting point is another key physical property. After precise determination, its melting point is in a specific temperature range. This temperature range provides a key basis for identifying the compound and controlling its purity. In the preparation and quality control process of compounds, the determination of melting point is a routine and important detection method. If the melting point deviates from the established range, or suggests that the purity of the compound is insufficient or there are impurities, further treatment and optimization are required.
The physical properties of 1- (5-isoquinoline sulfinyl) hexahydro-1H-1,4-diazepine hydrochloride play an important role in chemical research, drug development and related industrial production, laying the foundation for its rational application and in-depth exploration.
1- (5-Isoquinolinesulfinyl) In what fields is hexahydro-1H-1,4-diazepine hydrochloride used?
1- (5-isoquinoline sulfinyl) hexahydro-1H-1,4-diazepine hydrochloride, which is used in medicine, chemical industry and other fields.
In the field of medicine, it is often the key intermediate for the development of new drugs. Due to the unique chemical structure of this compound, it can interact with specific targets in organisms. Taking the development of drugs for neurological diseases as an example, it may be possible to precisely regulate the release and transmission of neurotransmitters to treat neurological diseases such as epilepsy and Parkinson's disease. Or in the development of cardiovascular drugs, by acting on specific receptors or ion channels in the cardiovascular system, it regulates heart rhythm and blood pressure, providing a new way for the treatment of cardiovascular diseases. < Br >
In the chemical industry, it can be used as an important raw material for organic synthesis. Due to its active structure, it can participate in a variety of chemical reactions, and then synthesize functional materials with special properties. Such as synthesizing polymer materials with excellent optical and electrical properties, used in the manufacture of electronic devices, optical instruments, etc. In addition, in the production of fine chemical products, it may also be used as a key additive to improve the performance and quality of products, such as enhancing the adhesion of coatings and enhancing the stability of plastics.
This compound has great potential in the fields of medicine and chemical industry. With its unique structural properties, it provides strong support for innovation and development in many fields.
What is the preparation method of 1- (5-Isoquinolinesulfinyl) hexahydro-1H-1,4-diazepine hydrochloride?
The preparation method of 1- (5-isoquinolinesulfinyl) hexahydro-1H-1,4-diazepine hydrochloride is a rather complex and delicate chemical process. At the beginning of its preparation, many fine raw materials need to be prepared, and the purity of the raw materials must reach a very high standard to ensure the quality of the final product.
First, select a suitable starting compound. This starting compound needs to have a specific chemical structure and activity check point before the subsequent reaction process can be initiated. Then, under carefully controlled reaction conditions, such as precise control of temperature, pressure and reaction time, the starting compound can react with a specific reagent. The control of temperature is particularly critical, or it needs to be maintained at a certain precise temperature range. If it is high, the reaction will be too fast and impurities will be easily generated; if it is low, the reaction will be slow and the efficiency will be low.
During the reaction process, it is often necessary to use the power of a catalyst to accelerate the reaction process and improve the selectivity of the reaction. This catalyst also needs to be carefully selected and adapted to the specific reaction system in order to exert its best effect. After the reaction is completed, the product may be mixed with unreacted raw materials, by-products and other impurities, so it needs to go through a series of separation and purification steps.
Separation method, or use extraction, distillation, column chromatography and other means. During extraction, the extractant needs to be cleverly selected according to the difference in solubility of the product and impurities in different solvents to separate the product from the reaction mixture. Distillation is based on the different boiling points of each component to achieve effective separation. Column chromatography uses the difference in the adsorption capacity of the adsorbent to different substances to separate the product and impurities.
After purification, the product needs to be accurately analyzed and tested to determine its purity and structure. Advanced analytical techniques such as nuclear magnetic resonance, mass spectrometry, and infrared spectroscopy are often used in this step. Only when all the indicators of the product meet the preset standards can it be regarded as qualified 1- (5-isoquinoline sulfinyl) hexahydro-1H-1,4-diazepine hydrochloride. The whole preparation process, each step is interconnected, and any slight error in any link may affect the quality and yield of the final product.
1- (5-Isoquinolinesulfinyl) What is the safety of hexahydro-1H-1,4-diazepine hydrochloride?
(This is 5-isoquinoline sulfinyl) hexahydro-1H-1,4-diazepine hydrochloride, its safety is related to many aspects, let me explain in detail.
At the end of the chemical properties, this compound contains the structure of isoquinoline and diazepine, and its sulfinyl group and hydrochloride part may affect its stability and reactivity. Sulfinyl groups have certain oxidation-reduction properties. Under certain conditions, they may involve oxidation-reduction reactions, resulting in structural variation, which in turn affects their safety. The form of hydrochloride can affect its dissociation status in solution, affecting its chemical and biological activities.
The toxicological characteristics are discussed, and its safety must be investigated in detail by animal experiments and clinical trials. In animal experiments, when its acute toxicity is observed, that is, when a single high dose is given, the animals show poisoning symptoms, target organ damage and half lethal dose. Chronic toxicity cannot be ignored. Long-term low-dose exposure may cause progressive damage to organ function, carcinogenesis, teratogenesis, mutagenesis and other latent risks. In clinical trials, it focuses on human tolerance, frequency and severity of adverse reactions, such as whether it causes allergic reactions, abnormal liver and kidney function, and blood system disorders.
Furthermore, the safety of its production and use is also critical. In production, the raw materials and intermediates may be toxic, corrosive, flammable and explosive. If the synthesis reaction conditions are not properly controlled, or the reaction is out of control, a safety accident will occur. When using, storage conditions are also important, temperature and humidity, light, air and other factors, or affect its stability. If it is not well preserved and deteriorated, there may be unpredictable consequences during use.
In summary, the safety of (5-isoquinoline sulfinyl) hexahydro-1H-1,4-diazepine hydrochloride needs to be confirmed through comprehensive chemical and toxicological studies, and strict control of production and use links, so as to ensure its safe application in scientific research, medical and other fields.