isoquinoline, 5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]-

This is an inquiry about the chemical structure of (isoquinoline, 5- [ (hexahydro - 1H - 1,4 - diazepin - 1 - yl) sulfonyl]). To clarify the chemical structure of this substance, let me tell you in detail.
First, isoquinoline (isoquinoline), its core structure is nitrogen-containing heterocyclic aromatic hydrocarbons. The structure of isoquinoline is similar to that of a carbon atom in a naphthalene ring replaced by a nitrogen atom, in a fused bicyclic structure. This bicyclic is formed by fusing a benzene ring and a pyridine ring, which is aromatic.
Look again at the 5 - [ (hexahydro - 1H - 1,4 - diazepin - 1 - yl) sulfonyl] part. Among them, hexahydro - 1H - 1,4 - diazepin - 1 - yl (hexahydro - 1H - 1,4 - diazepin - 1 - yl) is a seven-membered heterocyclic structure with two nitrogen atoms in the ring, and this ring is saturated, that is, all carbon-carbon bonds are single bonds. sulfonyl (sulfonyl) is -SO 2O - group. This part means that at the 5th position of isoquinoline, a sulfonyl group is connected, and the other side of the sulfonyl group is connected with hexahydro-1H-1,4-diazepam-1-group.
In summary, the chemical structure of the substance is based on isoquinoline as the parent nucleus, and at its 5th position, it is connected with hexahydro-1H-1,4-diazepam-1-group through the sulfonyl group. In this way, the chemical structure of this substance is outlined.

5 - [ (Hexahydro-1H-1,4-diazepine-1-yl) sulfonyl] isoquinoline, the physical properties of this substance are as follows:
Looking at its shape, under normal conditions or white to light yellow crystalline powder, fine texture, smooth touch. Its particle size is fine, good dispersion, in many reaction systems, easy to spread evenly, participate in the reaction.
Smell its smell, the smell is extremely light, almost imperceptible, in the experimental operating environment, it does not cause a pungent feeling, nor does it cause significant interference to the operator's sense of smell.
Depending on its solubility, it exhibits good solubility in polar organic solvents such as methanol and ethanol. This property makes it possible for 5- [ (hexahydro-1H-1,4-diazepine-1-yl) sulfonyl] isoquinoline to be fully dissolved and uniformly dispersed in the chemical reaction with alcohols as solvents, thus effectively promoting the reaction. In water, its solubility is relatively low, but it can also be dissolved to a certain extent by appropriate auxiliary means such as ultrasonic treatment or the addition of co-solvents.
On its melting point, it has been precisely determined to be in a specific temperature range. This melting point characteristic can be used as an important indicator for the identification of this substance. During the purification process of the substance, impurities can be effectively separated and the purity of the substance can be improved by means of recrystallization according to the difference in melting point.
Looking at its stability, under normal temperature and pressure, dark and dry environmental conditions, 5- [ (hexahydro-1H-1,4-diazepine-1-yl) sulfonyl] isoquinoline can maintain good chemical stability, and the structure is not easy to change. However, if exposed to extreme conditions of high temperature, high humidity or strong light, its structure may gradually change, causing changes in chemical properties, so it is necessary to properly avoid such adverse factors during storage and use.

(This compound (isoquinoline, 5- [ (hexahydro-1H-1,4-diazepin-1-yl) sulfonyl] -) is often used in the field of medicinal chemistry. Looking at this structure, it contains an isoquinoline parent nucleus and is connected with hexahydro-1H-1,4-diazepine-1-yl sulfonyl at the 5th position. Such a unique structure endows it with diverse biological activities.
In the process of drug development, it may show affinity for specific targets. For example, some nitrogen-containing heterocyclic structures can often precisely bind to macromolecules such as proteins and enzymes in organisms. The isoquinoline and diazepine structures of this compound may cooperate to regulate related biological pathways. For example, in the exploration of drugs for neurological diseases, it may have a regulatory effect on neurotransmitter receptors to improve abnormal neurotransmission; in the field of anti-tumor drug development, it may interfere with tumor cell proliferation and apoptosis-related signaling pathways, and bind to key proteins to block tumor cell growth.
In addition, in organic synthesis chemistry, it can act as a key intermediate. With its own active groups, through various organic reactions, such as nucleophilic substitution, coupling reactions, etc., it can derive compounds with more complex structures and more specific functions, expand the library of organic compounds, and pave the way for the research and development of new functional materials and agricultural chemicals. It has significant potential value in the fields of medicine and organic synthesis, such as shining in the sky of scientific research and exploration, attracting countless researchers to explore its mysteries.

To prepare 5- [ (hexahydro-1H-1,4-diazepine-1-yl) sulfonyl] isoquinoline, there are various methods. Now it is described in detail according to the ancient method.
Take isoquinoline as the base first, which is the key starting material. Isoquinoline has a special aromatic ring structure, which lays the foundation for subsequent reactions. It can be obtained from the fine separation of coal tar or from a specific organic synthesis path.
Next, [ (hexahydro-1H-1,4-diazepine-1-yl) sulfonyl group] is introduced at position 5 of the isoquinoline. Hexahydro-1H-1,4-diazepine can be prepared first. It can be obtained by catalytic hydrogenation of the corresponding unsaturated nitrogen heterocycle. If a suitable unsaturated diazepine is used, in the presence of a metal catalyst such as palladium carbon, hydrogen is used to control the reaction temperature and pressure, so that the double bond and the unsaturated check point of the nitrogen heterocycle are hydrosaturated to obtain hexahydro-1H-1,4-diazepine.
Then, hexahydro-1H-1,4-diazepam is reacted with a sulfonylating reagent. Commonly selected sulfonylating reagents such as sulfonyl chloride. In a suitable solvent such as dichloromethane, hexahydro-1H-1,4-diazepam and sulfonyl chloride are catalyzed by a base such as triethylamine. The base neutralizes the acid generated by the reaction and prompts the reaction to proceed forward to obtain an active intermediate of [ (hexahydro-1H-1,4-diazepam-1-yl) sulfonyl].
Finally, this active intermediate is reacted with isoquinoline. [ (hexahydro-1H-1,4-diazepam-1-yl) sulfonyl] can be substituted for the 5-position hydrogen atom of isoquinoline under heating and the presence of an appropriate catalyst. The catalyst can be selected from metal salts such as copper salts. After this series of reactions, 5- [ (hexahydro-1H-1,4-diazepam-1-yl) sulfonyl] isoquinoline can be prepared. After the reaction, it needs to be separated and purified, such as column chromatography, recrystallization, etc., to obtain a pure product.

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