What is the chemical structure of (R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile?

This is the chemical nomenclature of (R, S) -4 - (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile. To know its chemical structure, the nomenclature can be analyzed as follows.

Looking at the main structure, "benzonitrile" indicates that the core is a benzene ring, and the benzene ring is connected with a formonitrile group (-CN). Looking at the other substituents of the benzene ring, "3- (hydroxymethyl) " means that the benzene ring has hydroxymethyl (-CH 2O OH) attached at position 3.

and "4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) ". In this long chain substituent, "butyl" indicates a chain-like structure containing four carbon atoms. " 1-Hydroxy "indicates that the butyl 1 position is connected with a hydroxyl group (-OH)," 1- (4-fluorophenyl) "indicates that the 1 position is also connected with a 4-fluorophenyl group (the fluorine atom is located at the phenyl 4 position), and" 4-dimethylamino "indicates that the butyl 4 position is connected with a dimethylamino group (-N (CH ₃)₂ ） 。

). The chemical structure of this compound is based on the phenyl ring as the core. The phenyl ring has hydroxymethyl at the 3 position, and the 4 position is connected with a butyl group containing a specific substituent, and the benzene ring is connected with a formonitrile group. Because (R, S) indicates that there may be two enantiomers of this compound, the structures are only different in spatial configuration, and the atomic connection order is the same. From this, its chemical structure can be roughly outlined, but the accurate description requires the help of professional chemical drawing software to show details such as atomic spatial arrangement.

What are the main uses of (R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile?

(R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile, which is an organic compound. It has a wide range of uses and is often used as a key intermediate in the field of medicinal chemistry to assist in the development of new drugs.

The birth of many innovative drugs depends on these intermediates as the cornerstone. Due to its specific chemical structure, it can endow drug molecules with unique activities and properties, just like a delicate component in the hands of skilled craftsmen, playing an indispensable role in the construction of new drug buildings.

Furthermore, in the field of organic synthetic chemistry, it is an important starting material for the synthesis of many complex organic compounds. With its unique structural characteristics, chemists can gradually transform it into organic molecules with more complex structures and functions through various ingenious chemical reactions. This is like using it as a pigment in the palace of chemical art to create a colorful picture of organic synthesis.

In the field of materials science, although it has not been deeply involved, its potential value cannot be underestimated. Or it can be chemically modified to impart specific properties to materials, opening up new avenues for the development of new functional materials, such as in photoelectric materials, polymer materials, etc., or it can emerge and demonstrate unique advantages, contributing to the development of materials science.

What is the synthesis method of (R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile?

The synthesis of (R, S) - 4 - (4 - dimethylamino - 1 - (4 - fluorophenyl) - 1 - hydroxybutyl) - 3 - (hydroxymethyl) -benzonitrile is one of the key issues in organic synthetic chemistry. To prepare this substance, the conventional route of chemical synthesis can be followed.

First, suitable starting materials should be found, such as fluorobenzene derivatives and compounds containing nitrogen, alcohol and nitrile groups with specific structures. Hydrocarbons containing fluorobenzene and suitable halogenated hydrocarbons can be synthesized by nucleophilic substitution under strong base catalysis to generate hydrocarbons containing fluorophenyl substitution. This step requires careful control of the reaction conditions, such as temperature, reaction time and catalyst dosage, to ensure that the reaction proceeds smoothly and a high yield is obtained.

Then, nitrogen-containing functional groups are introduced. The amination reaction can be used to interact with the previous product and dimethylamine in the appropriate reaction system to construct a 4-dimethylamino structure. This process requires attention to the choice of reaction solvent, because it has a great impact on the reactivity and selectivity.

Furthermore, through a series of oxidation, reduction or addition reactions, the structure of 1-hydroxybutyl and 3- (hydroxymethyl) is gradually established. If a suitable oxidizing agent or reducing agent is used, the check point and degree of the reaction can be precisely adjusted. For example, a mild oxidizing reagent is used to oxidize the alcohol hydroxyl group at a specific position to an aldehyde group, and then through a reduction reaction, it is converted into the desired hydroxymethyl structure.

When constructing the benzyl nitrile part, the halogenated benzyl derivative can be reacted with the cyanide reagent to introduce the cyanide group. This step requires attention to the safety of the reaction, because cyanide is highly toxic.

The whole synthesis process needs to carefully plan the reaction sequence and conditions of each step, and use modern analytical methods, such as nuclear magnetic resonance, mass spectrometry, etc., to monitor the reaction process and product purity in real time, so as to achieve efficient and accurate synthesis of (R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile.

What are the physicochemical properties of (R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile?

(R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile The physicochemical properties of this product are quite important and are related to applications in many fields.

When it comes to physical properties, its appearance is often presented in a specific form, either in a crystalline state or in a powder state, which is related to its initial appearance and actual operation. Its melting point is also a key parameter. The level of melting point determines its physical state transformation under different temperature environments, which has a great impact on storage and processing. If the melting point is too low, it may be difficult to maintain the stability of the solid state at room temperature; if the melting point is too high, the temperature control requirements are strict in some processes that require heat treatment.

In terms of chemical properties, many functional groups in this compound endow it with unique reactivity. Cyanyl (-CN) has high reactivity and can participate in a variety of chemical reactions, such as hydrolysis, which can be converted into carboxylic groups, and then a series of carboxylic acid derivatives can be derived. It can also undergo addition reactions and combine with various nucleophiles to expand the diversity of its chemical structures. Hydroxy (-OH) can also be ignored. It can participate in esterification reactions and react with acids to form esters. This reaction is often used in organic synthesis to construct specific structures and regulate the physical and chemical properties of compounds. Furthermore, the structure of the benzene ring endows it with certain aromaticity and stability, and the substituents on the benzene ring affect the distribution of its electron cloud, which indirectly affects the reactivity and selectivity of the whole molecule.

In summary, the physicochemical properties of (R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile are interrelated, which together determine its application potential and behavior in chemical synthesis, materials science and drug development.

What are the safety precautions for (R, S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) -benzonitrile?

(R, S) - 4 - (4 - dimethylamino - 1 - (4 - fluorophenyl) - 1 - hydroxybutyl) - 3 - (hydroxymethyl) - benzonitrile This material is related to safety and many matters need to be treated with caution.

First, when storing, it should be placed in a cool, dry and well-ventilated place, away from fire and heat sources. Because of its chemical activity, it may cause combustion or even explosion when heated or exposed to open flames. And it should be stored separately from oxidants, acids, bases, etc., to prevent mutual reaction, causing changes in ingredients, affecting quality, and even causing dangerous accidents.

Second, the operation process must be strictly followed. Operators need to wear professional protective equipment, such as protective clothing, protective gloves and goggles. Because it may be irritating and corrosive to the skin, eyes and respiratory tract. The operation site should ensure smooth ventilation, reduce the concentration of this substance in the air, and avoid inhalation poisoning. And it is strictly forbidden to eat, drink and smoke during the operation. After the operation, it should be thoroughly washed to prevent residual substances from endangering health.

Third, do not take it lightly during transportation. It needs to be carried out according to the requirements of dangerous chemical transportation, choose suitable transportation tools, and do a good job of protection and fixation to avoid collision, vibration and friction, so as to prevent package damage and leakage. In the event of a leak, it is necessary to quickly evacuate the surrounding population and isolate the scene. Emergency responders need to wear professional protective equipment and take appropriate measures such as adsorption and neutralization to clean up according to the amount of leakage and the site conditions to prevent the spread of pollution.