What is the chemical structure of N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodo-4-quinazolinamine?
This is a question about chemical substances. The chemical structure of "N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodine-4-quinazolinamide" needs to be analyzed by chemistry.
The name of this compound is derived according to the chemical nomenclature, from which its structure can be traced. "Quinazolinamide" indicates that its core structure is a quinazoline ring, and there is an amino group at the 4th position. "6-iodine" indicates that there is an iodine atom substitution at the 6th position of the quinazoline ring.
Furthermore, "N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl]" reveals that the nitrogen atom is attached to a phenyl group, which has a chlorine atom at the 3rd position and a structure modified with (3-fluorophenyl) methoxy at the 4th position. That is, there is a phenyl group first, which is chlorinated at the 3rd position, and another 3-fluoro-substituted phenyl group is connected at the 4th position through methoxy.
In summary, this compound is based on a quinazoline ring, with an amino group at the 4th position, an iodine atom at the 6th position, and a nitrogen atom connected to a specific modified phenyl group. There are chlorine atoms and (3-fluorophenyl) methoxy groups on the phenyl group. Modified, this is the chemical structure of "N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodine-4-quinazolinamide".
What are the main uses of N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodo-4-quinazolinamine?
N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodine-4-quinazolinamine is an organic compound. Its main uses are quite extensive, and it has many applications in the field of pharmaceutical research and development.
Because of its unique structure, it has specific chemical activities and can interact with specific targets in organisms. Or it can be used as a lead compound for potential anti-cancer drugs. Due to the structure of quinazolinamines, it often has affinity with some key enzymes or receptors in tumor cells. By blocking specific signaling pathways, it can inhibit the proliferation of tumor cells and induce their apoptosis.
is also an important intermediate in medicinal chemistry research. It can be chemically modified to derive many structural analogs. By changing the type, position and quantity of substituents, the relationship between structure and activity is explored, which lays the foundation for the creation of new drugs with high efficiency and low toxicity.
Furthermore, in the field of materials science, it may also emerge. Its unique molecular structure may endow materials with special optical and electrical properties, or it can be used to prepare functional materials such as optoelectronic devices and sensors, but its application in this area is still in the exploratory stage. In short, the compound has potential application value in the fields of medicine and materials, and needs to be further studied and developed.
What is the synthesis method of N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodo-4-quinazolinamine?
To prepare N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodine-4-quinazolinamide, the method is as follows:
First take 3-chloro-4-hydroxybenzaldehyde, and 3-fluorobenzyl bromide in an alkaline environment, with a suitable solvent, such as N, N-dimethylformamide (DMF), reacted under warm conditions to give 3-chloro-4- [ (3-fluorophenyl) methoxy] benzaldehyde. In this step, pay attention to the amount of alkali and the reaction temperature, so as not to allow side reactions to breed.
Then the obtained aldehyde is converted into the corresponding oxime with hydroxylamine hydrochloride in an alcohol solvent, such as ethanol, under the action of an appropriate catalyst. Subsequently, after treatment with a dehydrating agent, such as dehydration with acetic anhydride, 3-chloro-4 - [ (3-fluorophenyl) methoxy] benzonitrile can be obtained.
Using 3-chloro-4- [ (3-fluorophenyl) methoxy] benzonitrile as a substrate, with 2-amino-5-iodobenzoic acid in a high boiling point solvent, such as 1,2-dichlorobenzene, in the presence of a condensing agent such as phosphorus oxychloride (POCl), heated and refluxed to cyclize 4-chloro-N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodoquinazoline-2-amine.
Finally, with a suitable reducing agent, such as hydrogen and palladium carbon (Pd/C) catalyst system, in an alcohol solvent, 4-chloro-N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodoquinazoline-2-amine 2-position chlorine atom is reduced to obtain the target product N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodoquinazolinamine. After each step of the reaction, it needs to be separated and purified, such as column chromatography, recrystallization, etc., to maintain the purity of the product before it can be used for the next step of the reaction.
What are the physical properties of N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodo-4-quinazolinamine?
This compound is N - [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodine-4-quinazolinamide. Looking at its structure, due to the iodine atom, its density is higher than that of ordinary organic compounds, and the weight of the iodine atom is large, resulting in an increase in the overall molecular weight. Contains multiple aromatic ring structures, with certain rigidity, relatively high melting point, and strong π-π stacking between aromatic rings, which requires high energy to destroy the lattice.
In terms of solubility, although nitrogen-containing atoms can form hydrogen bonds, the overall structure has a large proportion of aromatic rings, which are hydrophobic and have poor solubility in polar solvents such as water, but relatively good solubility in organic solvents such as dichloromethane and chloroform.
In terms of stability, the aromatic ring structure imparts certain stability, but the iodine atom is relatively active. Under specific conditions such as light and the presence of nucleophiles, substitution reactions may occur to cause structural changes. Nitrogen-containing atoms make the compound alkaline and can form salts with acids.
The physical properties of this compound are determined by its specific structure. In the fields of chemical synthesis, drug research and development, these properties are of great significance to the study of its reactivity and preparation process.
How safe is N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodo-4-quinazolinamine?
N - [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodine-4-quinazolinamide, this is a chemical substance. At the safety end, it is difficult to know everything, because the relevant research may still be limited.
At the toxicological level, there is no conclusive study to specify its exact toxicity to organisms. However, it contains halogen elements such as chlorine, fluorine, and iodine, and the quinazolinamide structure may be biologically active in some compounds, which may suggest that it is potentially toxic.
In terms of environmental impact, if this substance enters the environment, it may be difficult to degrade due to its complex chemical structure. It remains in soil, water or for a long time, affecting the ecosystem. Halogen elements may interfere with microbial activities, destroying soil fertility and water ecological balance.
Effects on human health, although there is no direct exposure study, there may be risks through respiratory tract, skin contact or ingestion. Some groups in the chemical structure may interact with human biological macromolecules to cause cell and tissue damage.
In short, the safety of N- [3-chloro-4- [ (3-fluorophenyl) methoxy] phenyl] -6-iodine-4-quinazolinamide is difficult to determine due to lack of research. Further studies on toxicology, environmental behavior, and human exposure are needed to clarify its safety and provide evidence for protection and application.