What is the chemical structure of 2- [2- (3,5-dimethyl-1H-pyrazole-1-yl) -2-oxyethyl] -1H-benzo [de] isoquinoline-1,3 (2H) -dione?

This is a problem involving the structure of an organic compound, and the "2 - [2 - (3,5 - dimethyl - 1H - pyrazole - 1 - yl) - 2 - oxoethyl] - 1H - benzo [de] isoquinoline - 1,3 (2H) - dione", to clarify its chemical structure, it should be analyzed according to the principles of organic chemistry.

First look at its main structure, "1H-benzo [de] isoquinoline-1,3 (2H) -dione", this is the core part, the parent nucleus of benzo [de] isoquinoline, connected with diketone groups at positions 1 and 3. This parent nucleus has the characteristics of a fused cyclic aromatic hydrocarbon, and the conjugate system endows it with certain stability and special physical and chemical properties.

Then check the side chain, "2 - [2 - (3,5 -dimethyl-1H-pyrazole-1-yl) -2 -oxoethyl]" part. Among them, "2-oxoethyl" indicates that one end of this side chain is a carbonyl-linked ethyl structure, and the carbonyl group is polar and can participate in a variety of chemical reactions, such as nucleophilic addition. And " (3,5-dimethyl-1H-pyrazole-1-yl) " nepyrazole ring structure, with methyl substitution at the 3rd and 5th positions, and the 1st position is connected to "2-oxoethyl". The pyrazole ring has certain basicity and coordination ability, because the nitrogen atom can provide lone pair electrons.

Overall, in the structure of this compound, the core benzo [de] isoquinoline-1,3 (2H) -dione imparts rigidity and conjugate stability to the whole, and the "2-oxoethyl" and " (3,5-dimethyl-1H-pyrazole-1-yl) " of the side chain add to its reactivity check point and structural complexity. The interaction of different groups makes this compound have unique application potential in organic synthesis, pharmaceutical chemistry and other fields. Reactions or drug molecules targeting specific targets can be designed by virtue of its structural properties.

What are the main physical properties of 2- [2- (3,5-dimethyl-1H-pyrazole-1-yl) -2-oxyethyl] -1H-benzo [de] isoquinoline-1,3 (2H) -dione?

2-%5B2-%283%2C5-%E4%BA%8C%E7%94%B2%E5%9F%BA-1H-%E5%90%A1%E5%94%91-1-%E5%9F%BA%29-2-%E6%B0%A7%E4%BB%A3%E4%B9%99%E5%9F%BA%5D-1H-%E8%8B%AF%E5%B9%B6%5Bde%5D%E5%BC%82%E5%96%B9%E5%95%89-1%2C3%282H%29-%E4%BA%8C%E9%85%AE%E6%9C%89%E4%B8%94%E5%85%B7%E5%A4%8D%E6%9D%82%E7%9A%84%E5%88%86%E5%AD%90%E7%BB%93%E6%9E%84%E7%9A%84%E5%8C%96%E5%AD%A6%E7%89%A9%E4%BD%93%E7%9B%B8%E5%85%B3%E7%9A%84%E7%89%A9%E7%90%86%E6%80%A7%E8%B4%A8%E4%B8%BE%E8%AF%B4%E5%A6%82%E4%B8%8B%EF%BC%9A

1. ** Melting boiling rate: The melting boiling rate of this compound is affected by the molecular force. Because the molecule contains aromatics, atoms, etc., the molecular force is high. The presence of aromatics increases the action of the molecule π-π stack. Generally speaking, compared with the aliphatic compound, the melting phase is high. For example, benzene-containing compounds are often higher than those of the same carbon compound. However, they have a melting boiling rate, which varies depending on the substituent group and position. If the substituent increases the molecular resistance, the molecular force increases and the melting temperature increases; if the substituent breaks the molecular resistance, the melting temperature may decrease.

2. ** Solubility **: The solubility in water is usually not good. Because of the aromatic group and most of the substituents in the molecule, the hydrophobic group, the water molecule can form a strong interaction. However, if the molecule contains water-forming groups such as amino groups and amino groups, the solubility in water will be improved. In the soluble solution, according to the principle of similarity solubility, it can be soluble in non-soluble or weakly soluble solutions, such as benzene, toluene, etc., because the aromatic part of the molecule is similar.

3. ** Density **: The density is often higher than that of water. The density is due to the concentration of carbon atoms and atoms in the molecule, and the aromatic phase is dense, which increases the amount of aromatic content. However, the density of different substituents also has an impact. With heavy atom substituents, the density increases further.

4. ** Optical properties **: Due to the presence of aromatic and special substituents in the molecule, it may have light absorption properties. The π-daughter system of aromatic can absorb light of a specific wave, and the absorption peak is observed in ultraviolet-light. Different substituents can change the density of the aromatic subcloud, which can change the position and degree of absorption peak. Some compounds may have optically active properties due to their inconsistency, which can rotate the polarization surface of polarized light.

What are the preparation methods of 2- [2- (3,5-dimethyl-1H-pyrazole-1-yl) -2-oxyethyl] -1H-benzo [de] isoquinoline-1,3 (2H) -dione?

To prepare 2 - [2 - (3,5 - dimethyl - 1H - indole - 1 - yl) - 2 - oxoethyl] - 1H - benzo [de] isoquinoline - 1,3 (2H) - dione, the method is as follows:

Selection and preparation of the first raw material. The required materials should be pure. For example, the corresponding halogens, amines, etc. need to be carefully checked to ensure that there are no impurities before they can be used in the process.

The reaction process often involves multiple steps. First, the reaction of nucleophilic substitution may be carried out with a specific halogen and a nitrogen-containing heterocyclic compound at a suitable temperature and catalysis. Among them, the nature of the solvent is very important, such as the use of aprotic polar solvents, such as N, N-dimethylformamide (DMF), which can help the anterograde reaction. Catalytic agents, bases such as potassium carbonate, etc., may promote its speed. Temperature control is moderate, depending on the nature of the substance, or between room temperature and tens of degrees Celsius, and the reaction is punctual until it reaches the expected transformation.

Second step, the product may need to be reprocessed. After separation and purification, such as column chromatography and recrystallization, a pure intermediate can be obtained. Then, the intermediate reacts with other materials, such as acid anhydride or acyl halide, in another suitable environment. This may be under basic catalysis to form the desired carbonylation product. During the reaction, attention should also be paid to the control of temperature and duration to ensure that the reaction is complete and the product is pure.

At the end of purification, the target 2- [2- (3,5-dimethyl-1H-indole-1-yl) -2-oxyethyl] -1H-benzo [de] isoquinoline-1,3 (2H) -dione can be obtained. Throughout the process, we must adhere to the operating rules and focus on the control of details in order to obtain high-quality products.

2- [2- (3,5-dimethyl-1H-pyrazole-1-yl) -2-oxyethyl] -1H-benzo [de] isoquinoline-1,3 (2H) -dione In which fields is it used?

2-%5B2-%283%2C5-%E4%BA%8C%E7%94%B2%E5%9F%BA-1H-%E5%90%A1%E5%94%91-1-%E5%9F%BA%29-2-%E6%B0%A7%E4%BB%A3%E4%B9%99%E5%9F%BA%5D-1H-%E8%8B%AF%E5%B9%B6%5Bde%5D%E5%BC%82%E5%96%B9%E5%95%89-1%2C3%282H%29-%E4%BA%8C%E9%85%AE this chemical substance, in the field of pharmaceutical research and development, it can be used as a key intermediate of active ingredients to help create new drugs to deal with specific diseases, with its unique structure and reaction characteristics, or to develop drugs with better efficacy and less side effects. In the field of materials science, it participates in the synthesis of high-performance materials, improves the thermal stability and mechanical properties of materials, and contributes to the innovation and development of materials. In the field of organic synthetic chemistry, it is an important building block for the construction of complex organic molecules. Through various chemical reactions, it expands the structural diversity of organic molecules and promotes the progress of organic synthetic chemistry.

As mentioned in "Tiangong Kaiwu", all things in the world have their uses, and this chemical substance also plays a unique role in the above fields, just like a sophisticated tool in the hands of skilled craftsmen, helping various fields to reach new heights and contributing to human development and progress.

What are the safety and toxicity of 2- [2- (3,5-dimethyl-1H-pyrazole-1-yl) -2-oxyethyl] -1H-benzo [de] isoquinoline-1,3 (2H) -dione?

This is about the safety and toxicity of 2 - [2 - (3,5 - dimethyl - 1H - pyrazole - 1 - yl) - 2 - oxyethyl] - 1H - benzo [de] isoquinoline - 1,3 (2H) - dione. These chemicals have complex structures. In the era of "Tiangong Kaiji", there is no such fine chemical understanding. However, it can be explained as follows.

In terms of safety, this compound contains a variety of special groups, and its stability requires the interaction of each group. The structure of pyrazolyl and benzoisoquinoline dione, or has certain stability due to the existence of conjugated system, but the oxygen atom of oxygen-substituted ethyl is active, or reacts and causes stability changes. If it is in a specific environment, such as high temperature, strong acid and base, or a chemical reaction, it will affect safety.

In terms of toxicity, nitrogen-containing pyrazole rings and complex benzo structures may have biological activities. into the body, or interact with biological macromolecules such as proteins and nucleic acids. Or because of structural similarity, embedded in nucleic acid base pairs, disturbing the transmission of genetic information; or combined with protein activity checking points, changing protein function, causing cell physiological dysfunction and toxicity. In addition, some of these organic synthetics are difficult to metabolize, accumulate in living organisms, or accumulate toxicity.

In summary, the safety and toxicity assessment of this compound requires experiments to determine its stability under different conditions and its impact on organisms, in order to determine its potential harm to the environment and organisms.