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What is the chemical structure of 5- (2-fluorophenyl) -1H-pyrrole-3-carbonitrile?
The chemical structure of 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile needs to be investigated in detail. This compound is composed of three parts.
The first is a pyrrole ring, which is a genus of a five-membered nitrogen-containing heterocycle. It has a unique electron cloud distribution. The lone pair of nitrogen atoms participates in the conjugated system, so that the pyrrole ring is electron-rich and exhibits unique activity in chemical reactions.
is subjoined to 2-fluorophenyl, and the fluorine atom is attached to the ortho-position of the benzene ring. The benzene ring has a conjugated large π bond and is a planar hexagonal structure with stable properties. Fluorine atoms can affect the electron cloud density of the benzene ring by inducing and conjugating effects, and then affect the reactivity of the groups connected to it. And the introduction of fluorine atoms has a significant impact on the physical and chemical properties of compounds, such as fat solubility and stability.
The tail is a formonitrile group, that is, a -CN group. The carbon and nitrogen in this group are connected by three bonds, which has a high polarity. The electron cloud is biased towards the nitrogen atom, making the formonitrile group electron-absorbing. This property not only affects the molecular dipole moment, but also plays an important role in the chemical activity of compounds. The formonitrile group can participate in many organic reactions, such as hydrolysis and addition.
The chemical structure of 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile, the interaction of various parts, endows the compound with unique physicochemical properties and reactivity, and may have important application value in organic synthesis, medicinal chemistry and other fields.
What are the main physical properties of 5- (2-fluorophenyl) -1H-pyrrole-3-carbonitrile?
5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile is one of the organic compounds. Its physical properties are quite important and are related to the characteristics and applications of this compound.
First of all, its appearance is often in a solid state, but the specific appearance may vary slightly depending on the preparation process and purity. Its color may be white to light yellow powder with fine texture. This is determined by its molecular structure and crystal arrangement.
As for the melting point, it has been determined by many experiments and is about a certain temperature range. This temperature value is of great significance for the identification and purification of this compound. Because the melting point is the inherent property of the substance, under a specific pressure, the temperature at which the substance changes from solid to liquid is constant. The melting point of 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile is a key indicator to identify its authenticity and purity.
Solubility is also an important physical property. In organic solvents, such as common ethanol, dichloromethane, etc., it exhibits a certain solubility. This is due to the specific interactions between the groups contained in the compound molecules and the organic solvent molecules, such as van der Waals force, hydrogen bond, etc. In water, its solubility is poor, due to the hydrophobicity of its molecular structure.
In addition, the density of the compound is also a consideration factor. Although the density value is affected by temperature and pressure, it has a relatively stable value at room temperature and pressure. The determination of density is helpful for accurate measurement and operation in practical applications.
In summary, the physical properties of 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile, such as appearance, melting point, solubility and density, are related, and together constitute the characteristics of this compound. It plays a pivotal role in the fields of organic synthesis and drug development, laying the foundation for subsequent research and application.
What are the applications of 5- (2-fluorophenyl) -1H-pyrrole-3-carbonitrile?
5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile is useful in various fields. In the field of medicinal chemistry, it is a key intermediate. Due to its structure containing atoms such as nitrogen and fluorine, compounds with specific biological activities can be obtained by chemical modification. These compounds may interact with biological macromolecules in the body, such as proteins, nucleic acids, etc., so they are very popular in the creation of new drugs, or are expected to become the basis of anti-cancer, anti-viral and anti-inflammatory drugs.
In the field of materials science, it also has its function. Because of its unique electronic structure and stability, it may be used to prepare functional materials. For example, through specific processes, it may be integrated into the organic optoelectronic material system to improve the electrical and optical properties of the material, and show the potential to increase efficiency and prolong life in the preparation of organic Light Emitting Diode (OLED), solar cells and other devices.
In the field of pesticide research and development, it is also valuable. The fluorine and nitrogen-containing structure gives it potential biological activity, or it has the ability to inhibit and kill insects and pathogens. It is expected to be developed into a new type of pesticide to protect crop growth, and compared with traditional pesticides, it may have the advantages of high efficiency, low toxicity and environmental friendliness.
In summary, 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile has important applications in medicine, materials, pesticides and other fields, providing many possibilities for related scientific research and industrial development.
What are the synthesis methods of 5- (2-fluorophenyl) -1H-pyrrole-3-carbonitrile?
There are several common methods for the synthesis of 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile:
One is to use 2-fluorobenzaldehyde and malonitrile as the starting material, and first through the Knoevenagel condensation reaction to obtain the corresponding acrylonitrile intermediate. This reaction often needs to be carried out in the presence of an appropriate catalyst, such as an organic base such as piperidine or pyridine, and the solvent such as ethanol or methanol is heated and refluxed to make the reaction occur smoothly. The target product 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile can be obtained from the obtained alkenonitrile intermediates through intramolecular cyclization. The cyclization step may need to be catalyzed by Lewis acids such as ZnCl ² or FeCl
Second, with 2-fluoroaniline as the starting material, it is converted into diazonium salt by diazotization reaction. The diazonitrile salt undergoes free radical addition reaction with acrylonitrile to form a fluorine-containing nitrile group substituted intermediate. Subsequently, under basic conditions, the intermediate undergoes intramolecular cyclization to construct a pyrrole ring, thereby obtaining the target compound. The diazotization reaction is usually carried out at low temperature with sodium nitrite and hydrochloric acid or sulfuric acid. The addition reaction of free radicals requires the introduction of appropriate free radical initiators, and the cyclization step requires the control of the type and dosage of bases, the reaction temperature and time.
Another synthetic path using halogenated aromatics and pyrrole derivatives as raw materials. 2-Fluorohalobenzene and 3-cyanopyrrole can be synthesized by C-C coupling reaction in the presence of transition metal catalysts such as palladium catalysts (such as Pd (PPh)) and ligands. 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile can be synthesized. This reaction often requires appropriate bases such as potassium carbonate or sodium carbonate, toluene, dioxane, etc. as solvents to promote the reaction under heating conditions.
Each synthesis method has its own advantages and disadvantages. In practical application, it is necessary to consider the availability of raw materials, the difficulty of controlling reaction conditions, yield and purity requirements and other factors to choose the most suitable synthesis path.
What is the market outlook for 5- (2-fluorophenyl) -1H-pyrrole-3-carbonitrile?
5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile, the prospect of this product in the market situation is really related to many parties. Try to analyze it now.
From the perspective of pharmaceutical and chemical industry, the demand for organic compounds containing special structures is increasing in current pharmaceutical research and development. 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile may emerge in the creation of new drugs due to its unique molecular structure. In the development process of anti-tumor, antiviral and other drugs, such fluorine-containing pyrrolidinitrile structures can often exhibit specific biological activities and precise effects with targets in the body. Therefore, in the field of pharmaceuticals, its market prospects may be bright, and pharmaceutical companies may gradually increase their attention and investment in such compounds.
As for the field of materials science, organic optoelectronic materials are developing rapidly. The conjugated structure of this compound may make it have certain optical and electrical properties. If it is applied to the research and development of organic Light Emitting Diodes (OLEDs) or organic solar cells, it is expected to improve the performance of devices. Therefore, in the emerging field of materials science, 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile also has potential opportunities. Relevant scientific research institutions and enterprises may explore the possibility of its use in material synthesis and application, and the market prospect is beginning to emerge.
However, it must also be clear that there may be obstacles to its promotion and application. The complexity and cost of the synthesis process are the key factors. If the synthesis method is cumbersome and costly, large-scale production and application will be hindered. Furthermore, safety and Environmental Impact Assessment are also indispensable. Only through rigorous research can it be proved to be safe and environmentally friendly in the market.
Overall, although 5- (2-fluorophenyl) -1H-pyrrole-3-formonitrile faces challenges in the fields of pharmaceutical, chemical and materials science, the prospects are quite promising. With time, technological innovation and in-depth research, it may be able to gain a place in the market and bloom.