What is the chemical structure of (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-carbonitrile

This is the question of (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-formonitrile, in order to clarify its chemical structure. The structure of this compound can be gradually analyzed according to its naming.

" (1S) ", indicating that the configuration of No. 1 carbon in its molecule is S type. "1- [3- (dimethylamino) propyl]", which means that No. 1 carbon is connected to a propyl group containing 3 carbons, and this propyl group has dimethylamino on No. 3 carbon. " 1- (4-fluorophenyl) ", the carbon in Table 1 is still connected to a phenyl group, and the position 4 of the phenyl group has a fluorine atom substitution." 3H-2-benzofuran "is the core parent nucleus of this compound, which is a structure containing a benzene ring and a furan ring, and has a specific bonding method at the 3H position." 5-formonitrile "refers to the presence of a formonitrile group at the position 5 of the benzofuran ring.

In summary, the chemical structure of (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-formonitrile is 3H-2-benzofuran as the parent nucleus, No. 1 carbon is connected with 3- (dimethylamino) propyl and 4-fluorophenyl, No. 5 carbon is connected with formonitrile, and No. 1 carbon configuration is S type.

What are the main uses of (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-carbonitrile

(1S) -1 - [3 - (dimethylamino) propyl] -1 - (4 - fluorophenyl) -3H - 2 - benzofuran - 5 - formonitrile, an organic compound with a wide range of uses.

In the field of medicinal chemistry, it may have important potential medicinal value. Many drug research and development efforts often use organic compounds with specific structures as starting materials, which are modified and optimized to explore new drugs with therapeutic efficacy. The unique structure of this compound may make it show affinity and activity to specific biological targets, which in turn provides the possibility for the treatment of various diseases such as neurological diseases, cardiovascular diseases or tumors. For example, by virtue of the interaction of its molecular structure with specific receptors or enzymes, it regulates physiological processes in organisms and achieves the purpose of treating diseases.

In the field of materials science, it may be used as a key structural unit for the construction of new functional materials. In the development of organic optoelectronic materials, the rational design and assembly of organic compounds with specific structures can endow materials with unique optical and electrical properties. The benzofuran, fluorophenyl and other structures contained in this compound may make it have good photoelectric properties, which can be used in the preparation of organic Light Emitting Diode (OLED), organic solar cells and other devices to help improve the performance and efficiency of the device.

In addition, in the field of organic synthetic chemistry, it can also be an important intermediate. Chemists can use various chemical reactions on it, such as functional group conversion, cyclization reaction, etc., to construct more complex and specific organic molecules, expand the structural diversity of organic compounds, and provide new ways and methods for the development of organic synthetic chemistry.

What is the synthesis method of (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-carbonitrile

To obtain the synthesis method of (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-formonitrile, you can follow the following steps.

First take 4-fluorobenzaldehyde and malonic acid under the catalysis of pyridine, and perform Knoevenagel condensation reaction. The two are mixed in appropriate proportions. In the mild catalytic environment of pyridine, the active methylene of malonic acid condensates with the aldehyde group of 4-fluorobenzaldehyde, and a molecule of water is removed to form trans-4-fluoro cinnamic acid. This step requires temperature control to make the reaction proceed smoothly, and the amount of pyridine needs to be moderate. Too much or too little will affect the yield.

This time, trans-4-fluoro cinnamic acid and o-hydroxybenzoic acid are cyclized into 2-benzofuran-5-carboxylic acid under the action of a dehydrating agent. This process requires a strong dehydrating agent, such as acetic anhydride, etc., heating to react between the two, and the carboxyl group and the ortho-hydroxyl group dehydrate into a ring to form a benzofuran structure. Temperature control and reaction time are the key, overheating or too long reaction, or side reactions may occur.

Next, thionyl chloride is used to convert 2-benzofuran-5-carboxylic acid into the corresponding acid chloride. The reaction is rapid in this step, and the thionyl chloride needs to be slightly excessive to ensure the complete conversion of the carboxylic acid, and the reaction should be carried out in a low-temperature venti

The resulting acid chloride is then reacted with 3- (dimethylamino) propylamine to form an amide. The two are mixed in a suitable solvent such as dichloromethane, and the carbonyl group of the acid chloride is substituted with the nucleophilic group of 3- (dimethylamino) propylamine to form an amide intermediate. The choice of solvent is very important to control the pH of the reaction system, which can affect the reaction rate and product purity.

Finally, the amide is dehydrated under the action of a dehydrating agent such as phosphorus pentoxide to obtain (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-formonitrile. This step requires precise temperature control and reaction time to obtain high-purity target products. The whole synthesis process needs to pay attention to the fine regulation of reaction conditions in each step, and the separation and purification of intermediates cannot be ignored, so as to obtain the ideal product.

What are the physical properties of (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-carbonitrile

(1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-formonitrile is a kind of organic compound. It has various physical properties.

Looking at its properties, under normal temperature and pressure, this substance is often solid, dense in texture and has a certain crystalline form. The appearance may be white to off-white powder, delicate and uniform, smooth to the touch.

When it comes to melting point, it has been accurately determined that its melting point is within a specific range. This melting point value is crucial for determining the purity and identification of the substance. During the heating process, when the melting point is reached, the substance will gradually melt from solid to liquid. The accuracy of this transition temperature is of great significance in chemical analysis and quality control.

Solubility is also an important property. In common organic solvents, such as ethanol and dichloromethane, this compound exhibits certain solubility properties. In ethanol, with moderate increase in temperature, its solubility increases, and a uniform and transparent solution can be formed. This property is instructive in the selection of reaction solvents in organic synthesis and the development of pharmaceutical formulations, helping to determine the optimal reaction medium and drug dissolution conditions.

Furthermore, the density of this substance is also a specific value. Density indicates the mass of a substance in a unit volume, which is indispensable for material measurement and reaction system ratio in chemical production, ensuring accurate production processes.

In addition, it also has a specific refractive index. The refractive index reflects the degree of change in the direction of light propagating in the substance. It is an important reference index in the fields of optical material research and material purity detection. By measuring the refractive index, it can be used to gain insight into the molecular structure and purity changes of the substance.

The physical properties of this compound have far-reaching impact in many fields such as organic synthesis and pharmaceutical chemistry, helping researchers to deeply understand its characteristics, and then effectively apply it to actual production and research.

What are the precautions for (1S) -1- [3- (dimethylamino) propyl] -1- (4-fluorophenyl) -3H-2-benzofuran-5-carbonitrile during use?

(1S) - 1 - [3 - (dimethylamino) propyl] - 1 - (4 - fluorophenyl) - 3H - 2 - benzofuran - 5 - formonitrile. When using this medicine, there are many things to pay attention to and need to be treated with caution.

Bear the brunt first, be sure to explain the usage and dosage. As told by the doctor, it must be strictly followed, and the dosage must not be changed without authorization. Or due to different diseases, ages, and physical conditions, the dosage varies. If the dosage is improper, or the efficacy of the drug is not obvious, or even adverse reactions are caused.

Times, pay attention to adverse reactions. During the medication, pay attention to physical changes. Such as dizziness, nausea, rash and other discomforts, if this situation occurs, inform the doctor immediately. Because it may be a sign of adverse drug reactions, the doctor can decide according to the situation, or adjust the treatment plan, or choose other drugs.

Furthermore, pay attention to drug interactions. If you are using other drugs, you must inform the doctor. This drug is used in combination with other drugs, or interact with each other, affecting the efficacy or increasing the risk. Doctors know all the drugs used, and can weigh the pros and cons to ensure the safety of the drug.

In addition, special groups of people need to be cautious when using drugs. Pregnant women, nursing mothers, children, the elderly, etc., have different physical functions from ordinary people. Pregnant women or injured fetuses, nursing mothers or passed on to infants through milk. Children and the elderly have different metabolism and tolerance. Therefore, when using drugs for such people, physicians must consider them carefully.

Finally, storage is also important. It should be placed in a suitable place according to the instructions of the drug. It may be necessary to avoid light and shade, or to prevent moisture. If stored improperly, the quality of the drug may change, and the efficacy of the drug will be damaged. In short, all matters of medication are related to health and should not be ignored.