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

This is the chemical name of (S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile. To clarify its chemical structure, the name needs to be analyzed according to the rules of organic chemistry.

" (S) " indicates that the compound is chiral and the configuration is S-type. " 4 - (4 - dimethylamino - 1 - (4 - fluorophenyl) - 1 - hydroxybutyl) ", this part refers to the benzene ring No. 4 is connected to a butyl side chain containing 4 - dimethylamino, 1 - (4 - fluorophenyl) and 1 - hydroxy. 4-Dimethylamino, nebutyl is connected with a dimethylamino (-N (CH < 3 >)) group at one end; 1- (4-fluorophenyl), meaning that butyl 1 is connected to a 4-fluoro-substituted phenyl group; 1-hydroxy, indicating that butyl 1 also has a hydroxyl group (-OH).

"3- (hydroxymethyl) " means that the benzene ring is connected to hydroxymethyl (-CH < 2) OH at position 3. "Benzonitrile" indicates that this compound is a benzyl derivative containing a nitrile group (-CN), that is, the benzene ring is connected to the nitrile group.

Overall, this compound has a benzene ring as the core, hydroxymethyl group at No. 3, butyl side chain at No. 4, and has a specific chiral configuration due to " (S) ". Thus, the chemical structure of (S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile can be constructed according to this.

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

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

In many drug development processes, specific chemical modifications and transformations are carried out on this compound to obtain new drug molecules with specific biological activities. Because the molecular structure contains a variety of active functional groups, such as hydroxy, cyano, and dimethylamino, these functional groups can participate in various chemical reactions, laying the foundation for the construction of complex drug molecular structures. < Br >
In the field of organic synthesis, it also plays an important role. Due to its unique structure, it can be used as a starting material or key module to react with other organic reagents through ingeniously designed synthesis routes to prepare a series of organic compounds with novel structures and unique functions, which makes great contributions to enriching the variety of organic compounds and expanding the chemical boundaries of organic synthesis. At the same time, its chiral center (S configuration) also has special significance in asymmetric synthesis, which can guide the reaction to selectively generate products of specific configurations, improve synthesis efficiency and product purity, and has potential application value in the preparation of fine chemical products.

What are the synthesis methods of (S) -4- (4-Dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile?

To prepare (S) - 4 - (4 - dimethylamino - 1 - (4 - fluorophenyl) - 1 - hydroxybutyl) - 3 - (hydroxymethyl) benzonitrile, there are various methods.

First, the starting material with a specific configuration is constructed through a delicate reaction sequence. First, the fluorobenzene derivative and the butene compound with the appropriate functional group are reacted by nucleophilic addition under specific catalysts and conditions to form a fluorine-containing intermediate with a butyl side chain. Among them, the choice of catalyst is very critical, such as metal-organic complexes, which can affect the rate and selectivity of the reaction.

Then, the side chain functional groups of this intermediate are modified. Using suitable oxidation or hydroxylation reagents, under precise control of the reaction conditions, the side chain is formed into a hydroxyl group. Subsequently, dimethylamino groups are introduced, which can be obtained by nucleophilic substitution reaction, with dimethylamine interacting with intermediates containing appropriate leaving groups.

As for the benzonitrile part, it can be constructed from the corresponding benzoic acid derivatives through steps such as amidation and dehydration. In this amidation step, a mild and efficient condenser is selected, which can improve the reaction efficiency and product purity.

Second, asymmetric catalytic synthesis can also be used. Select specific asymmetric catalysts to catalyze the reaction of key steps. For example, chiral metal complexes or enzyme catalysts are used to catalyze the reaction of building chiral centers. In this process, the design and screening of catalysts is extremely important, and factors such as their selectivity to substrates, activity and enantioselectivity need to be considered. By precisely regulating the reaction conditions, such as temperature, solvent, catalyst dosage, etc., the reaction can tend to produce products of the target configuration.

Furthermore, the optimization of the synthesis route cannot be ignored. The conditions of each step of the reaction are carefully explored to improve the reaction yield and selectivity. It is also necessary to consider factors such as the cost of raw materials, the difficulty of reaction operation, and the separation and purification of products, in order to make the synthesis method more practical and efficient.

What are the physical properties of (S) -4- (4-Dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile?

(S) - 4 - (4 - dimethylamino - 1 - (4 - fluorophenyl) - 1 - hydroxybutyl) - 3 - (hydroxymethyl) benzonitrile This material has unique physical properties. It is mostly a crystalline solid at room temperature. When the quality is relatively pure, the appearance is white and delicate, as pure as the first snow in winter.

Looking at its melting point, it is about a specific range. This temperature is the critical point for it to change from solid to liquid. When heated near the melting point, the crystalline structure gradually melts, the thermal motion of the molecules intensifies, and the orderly arrangement of the lattice is broken, resulting in a flowing liquid state.

In terms of solubility, it can be moderately dissolved in polar organic solvents, such as alcohols and ketones. Due to the interaction between the polar groups in the molecule and the polar molecules of the solvent, it is dispersed in the solvent by means of hydrogen bonds, dipole-dipole forces, etc. However, in non-polar solvents, such as alkanes, the solubility is very small, because of the weak force between the non-polar structure and the non-polar solvent molecules, it is difficult to miscible.

In addition, the density of this substance also has characteristics. Compared with water, it is either greater than water, placed in water, and slowly settles, such as stone sinking abyss; or less than water, it floats on the water surface, like a leaf pan wave. And its light and thermal stability also need to be considered. Excessive light exposure, high temperature, or cause molecular structure changes, resulting in changes in physical properties, so it is often necessary to properly store, avoid strong light, high temperature, in order to protect its properties.

What is the market outlook for (S) -4- (4-Dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile?

(S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile, the market prospect of this product is related to many factors, and let me tell them one by one.

Let's talk about the field of medicine first. At present, the search for new specific drugs is the top priority. This compound may have unique pharmacological activities. If it is deeply studied and developed, it can become a good drug for treating specific diseases, and the market prospect is limitless. For example, some compounds with similar structures have been proven to have significant efficacy in neurological diseases or cardiovascular diseases, and have been greatly successful in the market and are widely favored by doctors and patients. If (S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile also has such an effect, it will be able to occupy a place in the highly competitive pharmaceutical market, meet the needs of patients, and create considerable economic benefits.

Let's talk about the chemical industry. The chemical industry has a great demand for compounds with special structures and functions. If this compound is chemically stable and has special reactivity, it can be used as a key intermediate in chemical synthesis. With its unique structure, it may be able to synthesize new materials with excellent performance, which can be used in cutting-edge fields such as electronics and materials science. As in the past, the emergence of new chemical intermediates has promoted the development of high-performance plastics, new coatings and other industries. (S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile may also have this potential, triggering chemical product innovation and expanding market applications.

However, its market prospects are not entirely optimistic. R & D costs are a major challenge. From basic research to clinical trials to large-scale production, a huge amount of money and time are required. If the R & D process encounters technical difficulties, the progress is not smooth, or the R & D is interrupted due to lack of funds, the early investment will be lost. And the market competition is fierce, similar or alternative products may have occupied part of the market share. If you want to stand out, you need to show unique advantages, otherwise it will be difficult to gain a foothold in the market.

In summary, (S) -4- (4-dimethylamino-1- (4-fluorophenyl) -1-hydroxybutyl) -3- (hydroxymethyl) benzonitrile has addressable market opportunities, but also faces many challenges. Its final market performance remains to be tested by all parties.