What is the chemical structure of 4- (5,10-diiodine-1,3-dihydro-2H-pheno [9,10-d] imidazole-2-subunit) cyclohexane-2,5-diene-1-one?
The description of the chemical structure of this chemical substance is relatively complex. For clarity, let me disassemble and analyze it step by step. This substance contains several key structural fragments:
1. ** Fused ring structure **: There is a fused ring structure of phenanthrene [9,10-d] thiazole, which is formed by fusing the phenanthrene ring with the thiazole ring. The phenanthrene ring is a polycyclic aromatic hydrocarbon structure fused with three benzene rings, while the thiazole ring is a five-membered heterocycle containing a sulfur atom and a nitrogen atom. The two fused at specific positions constitute an important part of the core skeleton of the substance.
2. ** Substituent **:
- On the basis of the fused ring structure, there is a 2-imino substitution, which is connected to a specific position of the fused ring and affects the electron cloud distribution and chemical properties of the whole molecule. The presence of the imine group (-C = N -) makes the molecule have a certain nucleophilic or electrophilic reactivity check point.
- There is also a 2,5-dibromo substitution. The bromine atom acts as an electron-absorbing group, which further changes the electron cloud density of the molecule and affects its physical and chemical properties and reactivity. They are connected to the 2nd and 5th positions of the fused ring or related structures, respectively.
-1-methoxy substituted, methoxy (-OCH) has an electron supply effect, which also has a significant effect on molecular properties, connecting to specific locations.
- In addition, there is the (5,10-dichloro-1,3-dioxo-2H -) fragment, which further enriches the molecular structure. The presence of dichloro atoms and the dioxy structure together shape the unique chemical properties and spatial configuration of the substance.
Overall, this substance is an organic compound with complex structure and unique electronic effects and spatial configuration. The interaction of each substituent with the core fused ring structure determines its chemical, physical and possible biological activities.
What are the physical properties of 4- (5,10-diiodine-1,3-dihydro-2H-pheno [9,10-d] imidazole-2-subunit) cyclohexane-2,5-diene-1-one?
On the Physical Properties of (5,10-diaza-1,3-dioxa-2H-furo [9,10-d] pyridine-2-subunit) cyclohexane-2,5-diene-1-one
(5,10-diaza-1,3-dioxa-2H-furo [9,10-d] pyridine-2-subunit) cyclohexane-2,5-diene-1-one, an organic compound with a slightly complex structure. Its physical properties cover many important aspects.
In terms of appearance and morphology, this compound usually has a specific solid state, but the specific crystal form or powder state will vary depending on the preparation conditions. If the crystallization conditions of the preparation process are mild and controllable, or regular crystals can be obtained, the crystal structure can be accurately analyzed by means of X-ray diffraction, etc., providing key information for exploring the internal atomic arrangement and molecular accumulation mode.
When it comes to melting point, this compound has a specific melting point value. The melting point depends on the strength of the intermolecular forces. The heteroatoms such as nitrogen and oxygen in its molecular structure can form intermolecular forces such as hydrogen bonds and van der Waals forces. Strong hydrogen bonds may make the intermolecular bonds tightly bound, thereby increasing the melting point. Accurate determination of the melting point is of great significance to the identification of the purity of the compound. For samples with high purity, the melting point range is narrow and close to the theoretical value; if it contains impurities, the melting point decreases and the melting range becomes wider.
In terms of solubility, the compound behaves differently in different solvents. In polar solvents, such as alcohols and ketones, its molecular structure contains polar groups, or it has a certain solubility. Polar solvents and compound molecules can be dissolved through dipole-dipole interactions, hydrogen bonds, etc. In non-polar solvents, such as alkanes, the solubility may be very low, because the interaction between non-polar solvents and polar compound molecules is weak.
In addition, density is also one of its important physical properties. Density is closely related to the mass of the molecule and the degree of molecular accumulation. Experimental determination of density is helpful to provide basic data in practical applications, such as formulation and process design.
The physical properties of this compound have a profound impact on its application in organic synthesis, drug development and other fields. Only by clarifying its physical properties can its reaction conditions be better controlled and its potential value can be realized.
What is the synthesis method of 4- (5,10-diiodine-1,3-dihydro-2H-pheno [9,10-d] imidazole-2-subunit) cyclohexane-2,5-diene-1-one?
To prepare 4 - (5,10 - diaza - 1,3 - diboron - 2H - pheno [9,10 - d] imidazole - 2 - subunit) cyclopentyl - 2,5 - diene - 1 - one, you can refer to the following ancient method:
First take an appropriate amount of phenimidazole raw materials, in a clean vessel, add an appropriate amount of boron and nitrogen-containing reagents in a fine way. The ratio of boron and nitrogen reagents is crucial to the success or failure of the reaction and the purity of the product.
During the reaction, temperature control is extremely important. With mild heat, slowly heat up to make it react within a specific temperature range. This temperature needs to be adjusted carefully according to the characteristics of the raw materials and reagents, and there should be no slight difference. During this period, delicate stirring techniques must be used to fully blend the reactants and promote the uniform progress of the reaction.
When the reaction reaches an appropriate stage, it can be seen that there are subtle changes in the system. At this time, close attention should be paid to the process of the reaction, and the conditions of the reaction should be adjusted in a timely manner according to its phenomenon. Or fine-tuning the temperature, or adding a little reagent, all need to be done with caution.
Then, use a suitable separation and purification technique to remove its impurities and extract its essence, and finally obtain a pure 4- (5,10-diaza-1,3-diboron-2H-phenyl [9,10-d] imidazole-2-subunit) cyclopentane-2,5-diene-1-one. This separation and purification method also has many details. According to the characteristics of the product, choose a delicate method to obtain the ideal product.
The entire synthesis process requires the operator to be meticulous and skilled, and there must be no slack in all aspects, so as to achieve the desired synthesis goal.
What are the application fields of 4- (5,10-diiodine-1,3-dihydro-2H-pheno [9,10-d] imidazole-2-subunit) cyclohexane-2,5-diene-1-one?
As is known below, this (4- (5,10-diazophenanthrene-1,3-dicarboxylic acid-2H-phenanthrene [9,10-d] imidazole-2-subunit) cyclopentane-2,5-diene-1-one) has applications in many fields.
First, in the field of materials science, due to its unique molecular structure and good photoelectric properties, it can be used as an organic Light Emitting Diode (OLED) material. This molecular structure can effectively transport charges and emit photons, improve the luminous efficiency and stability of OLED devices, and make the display screen clearer and brighter.
Second, in the field of chemical sensors, it has the ability to highly selectively identify specific metal ions. Because specific functional groups in the molecule can coordinate with metal ions to cause color or fluorescence changes, it can sensitively detect the presence and concentration of metal ions in the environment or biological system, which is of great significance for environmental monitoring and biomedical diagnosis.
Third, in the field of pharmaceutical chemistry, studies have found that it may have certain biological activities. Or it can interact with specific targets in organisms to show pharmacological activities such as antibacterial and anti-cancer, providing potential lead compounds for the development of new drugs. After structural modification and optimization, it is expected to develop innovative drugs with high efficiency and low toxicity.
Fourth, in the field of catalysis, this compound may be used as a ligand to combine with metal catalysts to improve the activity and selectivity of catalysts. Its unique electronic structure and spatial configuration can regulate the electron cloud density and coordination environment of metal centers, making catalytic reactions more efficient and accurate, and is widely used in organic synthesis chemistry.
What are the precautions in the preparation of 4- (5,10-diiodo1,3-dihydro-2H-pheno [9,10-d] imidazole-2-subunit) cyclohexane-2,5-diene-1-one?
To prepare 4 - (5,10 - diaza - 1,3 - dioxa - 2H - pheno [9,10 - d] imidazole - 2 - subunit) cyclopentyl - 2,5 - diene - 1 - one, many matters need to be paid attention to.
The quality of the first raw material, the purity and characteristics of the raw material have a great impact on the quality and quantity of the product. The selected 5,10-diaza-1,3-dioxa-2H-phenyl [9,10-d] imidazole-2-subunit and cyclopentane-2,5-diene-1-one related raw materials should be strictly tested to ensure their purity and free of impurities.
The reaction conditions are also critical. The temperature needs to be precisely controlled. If the temperature is too high or low, the reaction can be yawed. This reaction may have an optimal temperature range. When operating, it should be adjusted to an appropriate temperature according to experiments and theories to ensure stable and efficient reaction. The pressure cannot be ignored. A specific reaction can go forward only under a specific pressure. According to the characteristics of the reaction, the pressure should be controlled to the appropriate value.
The choice and dosage of catalyst also need to be carefully considered. Suitable catalysts can promote the reaction, reduce the energy barrier, and increase the rate. However, improper dosage may lead to excessive catalysis and side reactions. Therefore, it is necessary to determine the best catalyst and dosage through experiments.
The reaction time is also important. The time is short, the reaction is not finished, the product is impure; the time is long, or by-products are produced, and the yield is reduced. Real-time monitoring is appropriate, and the optimal reaction time should be determined according to the reaction process.
The operation process must be rigorous. The order of material addition and the stirring rate can all affect the reaction. According to the established process, add materials in sequence, stir at a suitable speed to ensure uniform mixing of materials and promote homogeneity of the reaction.
Post-treatment process should not be light. Product separation and purification are related to product purity. Separation and purification by selection method, such as crystallization, chromatography, etc., remove impurities and improve product purity.