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What is the chemical structure of 7 (6H) -isoquinoline, 5,8-dihydro-
7% 286H% 29 - isoquinoline, 5,8 - dihydro - is an organic compound whose chemical structure is derived from the isoquinoline parent nucleus.
Looking at the name, "7% 286H% 29 - isoquinoline" indicates that its core is an isoquinoline structure. Isoquinoline, which is a nitrogen-containing heterocyclic aromatic hydrocarbon, has a unique conjugate system and chemical activity. Here "7" and "% 286H% 29" suggest specific atomic positions and related modifications. "5,8 - dihydro -" indicates that hydrogenation occurs at positions 5 and 8 of the isoquinoline parent nucleus, causing the original unsaturated double bond to be converted into a single bond, forming a saturated or partially saturated structure.
In its chemical structure, nitrogen atoms give alkalinity to the ring system, which affects the molecular solubility and reactivity. The substituents and hydrogenation sites on the ring significantly change its physicochemical properties. This structure is of great significance in the field of organic synthesis and medicinal chemistry. Because of its unique electron distribution and spatial configuration, it may exhibit biological activity, providing potential lead compounds for drug development. And due to the reduction of unsaturated bonds, the stability and reaction sex are different from that of the parent isoquinoline, and it has different performances in catalytic hydrogenation, nucleophilic substitution and other reactions.
What are the physical properties of 7 (6H) -isoquinoline, 5,8-dihydro-
The physical properties of 5,8-dihydro-7- (286H) -isoquinoline are of great value for investigation. Looking at this substance, it may be in the shape of a solid state at room temperature, but this is only speculation and needs to be verified by actual research. In terms of color and luster, it is difficult to determine because there is no detailed information. It is either colorless crystalline or slightly yellowish, depending on its chemical structure and the presence or absence of impurities in the preparation process.
When it comes to melting point, due to the lack of accurate experimental data, it can only be speculated based on compounds of the same structure. When its melting point is within a certain range, or hundreds of degrees Celsius, this isoquinoline structure has certain stability, and the intermolecular force makes the melting point not too low, but not very high.
As for solubility, this substance may have certain performance in organic solvents. For example, common organic solvents such as ethanol and ether may have certain solubility due to the presence of aromatic rings and some polar groups in their molecular structures, or they can interact with organic solvent molecules such as van der Waals force and hydrogen bonds. However, in water, its solubility may be poor, because the overall molecular polarity is not very strong, and the ability to form hydrogen bonds with water molecules is limited.
In terms of density, it is also difficult to know exactly. However, with reference to similar nitrogen-containing heterocyclic compounds, their density may be similar to that of common organic compounds, but slightly higher than that of water. Due to the nitrogen atom and aromatic ring structure in the molecule, the relative molecular weight increases, which in turn affects the density.
In summary, although the physical properties of 5,8-dihydro-7- (286H) -isoquinoline are mostly based on speculative analogy, they can also provide direction for subsequent in-depth research. In order to obtain accuracy, rigorous experimental determination is required.
What are the common uses of 7 (6H) -isoquinoline, 5,8-dihydro-
7% 286H% 29 - isoquinoline, 5,8 - dihydro - that is, 5,8 - dihydro - 7 (6H) - isoquinoline, this substance is commonly used in the preparation method, according to the ancient French proverb of "Tiangong Kaiwu", when as follows:
To prepare 5,8 - dihydro - 7 (6H) - isoquinoline, usually start with the corresponding isoquinoline derivative. First take an appropriate amount of isoquinoline with a specific substituent and place it in a clean kettle. For the kettle, the ancient container is preferably copper and iron, which can be heated evenly, so that the substance should be suitable.
Next, add a suitable solvent. Solvents, such as water, alcohols, or ethers, depending on the needs of the reaction, can make the reactants disperse evenly and promote the reaction to go faster. Add an appropriate amount of catalyst. Catalysts can change the rate of change, but they are not consumed by themselves. Such as metal complexes, which are active and can lead to the initiation of the reaction.
Place the kettle on the fire and gradually heat up. During the fire, it is crucial not to make it too intense, causing damage to the reactants, nor too slow, so that the reaction is delayed. Control the temperature at a suitable degree, or between tens and hundreds of degrees Celsius, depending on the characteristics of the reaction. < Br >
When the contents of the kettle are finished, remove the residue by the ancient method of taking it out. For those who are wet, use a fine cloth or bamboo sieve to separate the clear liquid from the insoluble matter. Then use the method of distillation to steam off the solvent. For distillers, put the liquid in the retort, and force it with fire to make the solvent gas rise, re-condense on the wall of the vessel, and flow to other places. The rest is the crude product of 5,8-dihydro-7 (6H) -isoquinoline.
The crude product is impure and needs to be purified by recrystallization. Take the crude product, dissolve it in a good hot solvent, wait for it to cool, crystallize and come out, take it by the wet method, polyester it with a cold solvent, remove its impurities, and then put it in a ventilated place to dry, to obtain pure 5,8-dihydro-7 (6H) -isoquinoline.
What are the synthesis methods of 7 (6H) -isoquinoline, 5,8-dihydro-
To prepare 7% 286H% 29 -isoquinoline, 5,8 -dihydro, there are many methods. One can be achieved through specific starting materials and the magic of organic synthesis in delicate steps. First, take the appropriate aromatic hydrocarbon, add a halogenating agent, halogenate it to obtain halogenated aromatics. Then, the halogenated aromatic hydrocarbon and the nitrogen-containing compound with a specific structure are reacted with nucleophilic substitution under suitable catalysts and reaction conditions to form a key intermediate. This intermediate is then ingeniously cyclized, the embryonic form of cycloisoquinoline. However, at this time or in the state of non-5,8-dihydro, a suitable reducing agent, such as lithium aluminum hydride, can be selected by reduction method to precisely act on the specific part of isoquinoline, so that it can be hydrogenated and reduced, and the final product is 7% 286H% 29-isoquinoline, 5,8-dihydro.
There is another method, which can be started from the compounds containing alkenyl groups and nitrogen, and designed by ingenious reaction. The addition reaction between the alkenyl group and the nitrogen-containing part occurs to build a preliminary carbon and nitrogen skeleton. Then it is cyclized within the molecule to form the basic structure of isoquinoline. Subsequently, selective reduction methods are used to reduce the target double bond site, so as to obtain the structure of 5,8-dihydro, and achieve the required 7% 286H% 29-isoquinoline.
In addition, the reaction path catalyzed by transition metals can also be used. Select suitable transition metal catalysts, such as palladium, nickel, etc., and match specific ligands to promote a series of reactions such as coupling and cyclization of related substrates. By precisely regulating the reaction conditions, such as temperature, solvent, and type of base, the substrate is converted according to the expected reaction mechanism, and the isoquinoline precursor is first constructed, and then the subsequent reduction operation can reach the synthesis of 7% 286H% 29-isoquinoline of 5,8-dihydro. All kinds of methods have their own advantages and disadvantages, and they need to be carefully selected according to the actual availability of raw materials, cost considerations, and difficulty of reaction in order to achieve the purpose of efficient synthesis.
7 (6H) -isoquinoline, 5,8-dihydro-related chemical reactions
7% 286H% 29 - isoquinoline% 2C 5% 2C 8 - dihydro - that is, 5,8 - dihydro - 7 (6H) - isoquinoline. There are many chemical reactions related to this compound.
Such as hydrogenation, in this compound, its unsaturated double bond can occur in a hydrogen atmosphere in the presence of a suitable catalyst such as palladium carbon. The addition of hydrogen atoms to the double bond reduces the degree of unsaturation, thereby changing the structure and properties of the molecule. Whether this reaction condition is mild or not depends on factors such as catalyst activity, hydrogen pressure, and reaction temperature. If the catalyst activity is high, the hydrogenation reaction can proceed smoothly at lower temperatures and pressures; if the catalyst activity is poor, the temperature and pressure need to be increased, but this may lead to side reactions.
Electrophilic substitution reactions are also an important class. Due to the aromatic ring structure of the compound, the electron cloud density distribution on the aromatic ring determines its susceptibility to electrophilic attack. Electrophilic substitution occurs when encountering electrophilic reagents such as bromine positive ions. Electrophilic reagents attack positions with higher electron cloud density on the aromatic ring. Generally speaking, the adjacent and para-position electron clouds on the aromatic ring have relatively high densities, and electrophilic substitution is prone to occur at these positions. However, the specific substitution position is also affected by other substituents. If there is a power supply group, it will further increase the density of the adjacent and para-position electron clouds, and the electrophilic substitution is more likely to occur in the adjacent and para-position; if there is an electron-absorbing group, it will increase the relative electron cloud density of the meta-position, and the electrophilic substitution may occur in the meta-position.
In addition, there are oxidation reactions. Suitable oxidants, such as potassium permanganate, can oxidize certain groups in this compound. For example, if there are oxidizable side chains in the compound, under the action of potassium permanganate, the side chains may be oxidized to groups such as carboxyl groups. The selectivity of the oxidation reaction is crucial, and different oxidants and reaction conditions can lead to differences in oxidation products. To selectively oxidize specific groups, it is necessary to carefully select the oxidizing agent and strictly control the reaction conditions, such as reaction temperature, reaction time, and solvent.