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What is the chemical structure of this product "isoquinoline, 6- (1-methylethyl) - (9ci) "?
This "isoquinoline, 6- (1-methylethyl) - (9ci) " is the name of the chemical substance. According to the chemical nomenclature, "isoquinoline" is isoquinoline, which is the parent nucleus of a nitrogen-containing heterocyclic aromatic compound. "6- (1-methylethyl) " indicates that at position 6 of the isoquinoline parent nucleus, there is a "1-methylethyl" group connected, which is actually isopropyl ($- CH (CH_ {3}) _ {2} $). (9ci) means that the nomenclature follows the rules of the 9th edition of the Chemical Substances Index. Therefore, the chemical structure of the substance is to connect an isopropyl group at position 6 of the isoquinoline parent nucleus. Its chemical structure is depicted graphically. The basic structure of isoquinoline can be drawn first, that is, a benzene ring is fused with a pyridine ring, and then isopropyl is added to the benzene ring (the part of the benzene ring where position 6 is located in the isoquinoline numbering system) at position 6. In this way, the chemical structure of the substance can be obtained.
What are the main uses of the "isoquinoline, 6- (1-methylethyl) - (9ci) " product?
6 - (1 - methyl ethyl) isoquinoline (9CI) This compound has a wide range of uses. In the field of medicine, it may be used as a key intermediate in drug synthesis. Isoquinoline compounds often have various biological activities, such as antibacterial, anti-inflammatory, anti-tumor and other effects. This compound is used as a starting material and through a series of chemical reactions, it may be able to create new specific drugs, contributing to the cause of human health.
In the field of materials science, it is also useful. Due to its unique chemical structure, it may be involved in the preparation of special polymer materials. By clever design and reaction, the material has good thermal stability, mechanical properties or optical properties, and is used in high-end fields such as aerospace and electronic devices.
In organic synthetic chemistry, 6- (1-methylethyl) isoquinoline (9CI) is an important synthetic building block. With its specific structure, chemists can follow different reaction paths to build complex organic molecular structures, facilitate the development and exploration of new compounds, and expand the knowledge boundaries and application scope of organic chemistry.
What are the physical properties of "isoquinoline, 6- (1-methylethyl) - (9ci) "?
6 - (1 - methylethyl) isoquinoline (9CI) is a kind of organic compound. Its physical properties are as follows:
- ** Appearance and Properties **: At room temperature and pressure, this substance is mostly colorless to light yellow liquid, or white to slightly yellow crystalline powder, which varies depending on the specific preparation and purification conditions. Its appearance can be directly observed by the naked eye. The liquid form is quite fluid, and the crystalline powder is fine in texture.
- ** Melting Point and Boiling Point **: The melting point is about 28-30 ° C. At this temperature, the substance melts from solid to liquid. The boiling point is about 284-286 ° C. At this temperature, the liquid begins to vaporize violently and transform into a gaseous state. Melting point and boiling point determination, with the help of specific equipment, such as melting point meters and boiling point measurement devices, etc.
- ** Density **: about 1.02g/cm ³, indicating the mass of the substance per unit volume. Density determination, often using professional instruments such as densitometers.
- ** Solubility **: Insoluble in water, due to its molecular structure characteristics, the force between water molecules is weak, so the degree of solubility in water is low. However, it can be soluble in organic solvents such as ethanol and ether. Due to the appropriate force between the substance and these organic solvent molecules, it can be mixed with each other. This property is critical for its application in organic synthesis and related experiments. < Br > - ** Odor **: Has a weak special odor that can be sensed by smell. This odor is derived from a specific combination of atoms and chemical bonds in its molecular structure, and odor is distinguished by the olfactory organ.
What are the chemical properties of "isoquinoline, 6- (1-methylethyl) - (9ci) "?
Alas, 6 - (1 - methyl ethyl) isoquinoline (9CI) This compound has unique chemical properties. Its physical properties, at room temperature or in a solid state, vary depending on specific environmental conditions. Looking at its melting boiling point, due to the presence of benzopyridine skeleton in the molecular structure and the substitution of isopropyl, the intermolecular force has its own characteristics, and the melting boiling point is different from ordinary simple organic matter.
When it comes to chemical activity, its nitrogen atom has lone pairs of electrons, making the isoquinoline ring weakly basic and can form salts with acids. And the aromatic ring is partially electron-rich and easy to be attacked by electrophilic reagents. It has a preference for electrophilic substitution reactions at specific positions of the benzene ring or due to the positioning effect of isopropyl groups.
And because of the existence of isopropyl groups, reactions related to alkyl groups can occur. If under suitable conditions, oxidation reactions can be carried out, and alkyl groups may be oxidized to corresponding alcohols, aldose and even carboxylic acids. In addition, in the field of organic synthesis, this compound can be used as a key intermediate to construct more complex organic molecular structures through various reactions.
Isoquinoline rings are common in many natural products and drug molecules. 6 - (1-methylethyl) isoquinoline may have potential biological activities, but the exact biological effects still need to be explored by in-depth biological experiments. In short, its chemical properties are rich, and it has considerable research and application value in organic chemistry and related fields.
What is the production method of "isoquinoline, 6- (1-methylethyl) - (9ci) "?
The preparation method of "isoquinoline, 6- (1-methylethyl) - (9CI) ", let me describe in detail.
The preparation of this compound can follow many paths of organic synthesis. First, the isoquinoline skeleton can be constructed through a series of reactions starting from suitable aromatic starting materials. For example, starting with a benzene derivative containing a specific substituent, a key functional group is first introduced through nucleophilic substitution or electrophilic substitution reaction, which subsequently plays an important role in cyclization reactions.
Furthermore, transition metal-catalyzed reactions can be used. For example, in palladium-catalyzed cross-coupling reactions, if the starting material contains suitable functional groups such as halogen atoms or borate esters, different fragments can be precisely connected through such reactions to form the specific structure of the target molecule. Among them, careful selection of reaction conditions, such as temperature, solvent, type and dosage of base, etc., all have a great impact on the yield and selectivity of the reaction.
Or use a cyclization condensation reaction strategy. Select compounds containing condensable functional groups, and under appropriate catalyst and reaction conditions, cyclize them within the molecule to form an isoquinoline structure, and then modify specific positions to introduce 6- (1-methylethyl) substituents. In this process, the activity and selectivity of the catalyst are extremely critical, which is related to whether the reaction can proceed smoothly and generate a high-purity target product.
In addition, the sequence of reaction steps needs to be considered, and unnecessary side reactions should be avoided to improve the total yield and atomic economy of the reaction. During the preparation process, it is also indispensable for the separation and purification of the intermediate and the final product. It is often necessary to use methods such as column chromatography and recrystallization to obtain high-purity "isoquinoline, 6- (1-methylethyl) - (9CI) ".