What is the chemical structure of (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-diyl dimethanesulfonate?

This is the name of the organic compound, (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-dimethyl sulfonate. To understand its chemical structure, follow the rules of organic chemistry.

The main chain of this compound is butane, and at the 1st and 4th positions of butane, each has a pair of substituted phenyl groups. There are 4-chloro, 2-fluoro, and 5-nitro substituents on this phenyl group. And the carbon atom configurations at the 1st and 4th positions are S. Furthermore, the carbon atoms at positions 1 and 4 are respectively connected to the methanesulfonate group, forming the dimethanesulfonate structure.

According to the simple words of "Tiangong Kaiwu", it can be said: "This compound is based on butane, with a pair of substituted phenyl groups attached at the end and end. Above the phenyl group, chlorine, fluorine, and nitro groups occupy positions in sequence. And the carbon sites at both ends are S in configuration. In addition, the carbon sites at both ends are connected to the methanesulfonate group, thus forming this unique structure. Its shape is like a vine around a wood, and the branches are scattered, each with its own position, complementing each other and forming this organic body." In this way, the outline of its chemical structure can be obtained.

What are the physical properties of (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-diyl dimethanesulfonate?

The physical properties of (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-dimethyl sulfonate are particularly important. This substance may be in a solid state at room temperature. Looking at its molecular structure, it contains aromatic rings, halogen atoms and sulfonate groups, which cause strong intermolecular forces, so it tends to form a solid state.

Regarding the melting point, due to the structure of many polar groups and rigid aromatic rings, the molecules are closely arranged and ordered, and the melting point is expected to be high. This is because the energy required to destroy the lattice is very large. In terms of solubility, in polar organic solvents, such as dimethyl sulfoxide, N, N-dimethylformamide, because the molecule contains polar sulfonate groups, it can form hydrogen bonds or dipole-dipole interactions with polar solvents, so it has a certain solubility. However, in non-polar solvents, such as n-hexane and toluene, due to the large polar difference, it is difficult for the molecule to interact with non-polar solvents, so the solubility is very small.

Density is also one of its physical properties. In view of the fact that its molecules contain elements with relatively large atomic mass such as chlorine and fluorine, and have a compact structure, the density may be higher than that of common organic compounds. < Br >
In addition, the appearance of this substance may be white to light yellow crystalline powder, which has a certain impact on light absorption due to the presence of aromatic ring conjugate system and nitro chromophores, resulting in a corresponding color in its appearance.

What are the main uses of (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-diyl dimethanesulfonate?

(1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-dimethyl sulfonate, which is an organic compound. However, it is rarely mentioned directly in ancient books, because it is a product of modern chemical synthesis, and ancient chemistry did not achieve this.

Although this specific substance did not exist in ancient times, it has important uses in the field of chemical synthesis today. First, it can be used as a key intermediate in organic synthesis. Due to its unique molecular structure, it contains chlorine, fluorine, nitro and other functional groups, which can be converted into other organic compounds through many chemical reactions, such as nucleophilic substitution, reduction, etc., to help synthesize complex organic molecules.

Second, in the field of materials science, it may be helpful for the development of materials with special properties. With the specific functional groups it contains, it may endow materials with special properties such as antibacterial and UV resistance, and play an important role in the creation process of new materials.

Third, in the field of medicinal chemistry, it may have potential medicinal value. Although it has not been validated in ancient times, modern research can explore its interaction with biological targets, explore its possibilities in disease treatment, and provide novel ideas and directions for the development of new drugs.

What are the synthesis methods of (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-diyl dimethanesulfonate?

The synthesis of (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-dimethyl sulfonate is a crucial issue in the field of organic synthesis. Due to its unique structure, this compound has shown potential application value in many fields such as medicinal chemistry and materials science. To synthesize this compound, there are several common methods.

One can be achieved through a step-by-step construction strategy. First prepare phenyl halides containing specific substituents, such as 4-chloro-2-fluoro-5-nitroaniline as the starting material, through diazotization, halogenation and other reactions to obtain the corresponding halogenated aromatics. Then through nucleophilic substitution, it is connected to the bifunctional compound containing the butane skeleton to form a carbon-carbon bond. In this step, suitable metal catalysts, such as palladium-catalyzed coupling reactions, can be used to improve the selectivity and yield of the reaction. After the phenyl groups are connected at both ends of the butane skeleton, the dimethanesulfonate group is finally introduced through the reaction with methanesulfonyl chloride.

Second, cyclization can also be considered as a key step. A suitable linear precursor is designed to contain reactive functional groups in the molecule. Under appropriate reaction conditions, intramolecular cyclization occurs to form a butane-containing backbone intermediate. Subsequently, the intermediate is modified to introduce 4-chloro-2-fluoro-5-nitrophenyl and dimethylsulfonate groups. This strategy requires precise control of the reaction conditions to ensure the smooth progress of the cyclization reaction and the correct configuration of the product.

Furthermore, biosynthetic pathways can also be explored. Enzymes with specific catalytic activities can be screened or modified to catalyze the reaction of related substrates to generate the target product. The biosynthesis method has the advantages of green, high efficiency and strong selectivity, but it requires high requirements on the source, activity and stability of the enzyme, which needs to be further studied and optimized.

Synthesis of (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-dimethyl sulfonate has its own advantages and disadvantages. Researchers need to carefully choose the appropriate synthesis path according to their own experimental conditions, purity and yield requirements of the target product and many other factors.

What should be paid attention to when storing and using (1S, 4S) -1,4-bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-diyl dimethanesulfonate?

(1S, 4S) -1,4-Bis (4-chloro-2-fluoro-5-nitrophenyl) butane-1,4-dimethyl sulfonate is a special chemical substance. When storing and using it, pay attention to many key matters.

First words storage, this substance should be stored in a cool, dry and well ventilated place. Because of its sensitivity to humidity and temperature, high temperature and humid environment may cause its properties to change, or even cause chemical reactions, which may damage quality and efficiency. Keep away from fire and heat sources to prevent the risk of fire or explosion. Because of its flammability, it is easy to cause accidents in case of open flames and hot topics. It should also be stored separately from oxidants, acids, alkalis, etc., due to contact with them, or severe reactions, resulting in dangerous conditions.

As for use, be sure to strictly follow the operating procedures. Users need to be professionally trained to be familiar with their properties, hazards and emergency treatment methods. When operating, prepare appropriate protective equipment, such as protective glasses, gloves, protective clothing, etc., to avoid contact with skin and eyes. If inadvertent contact, rinse with plenty of water immediately and seek medical treatment. The place of use needs to have good ventilation facilities to prevent its volatile gas from accumulating in the air and causing inhalation poisoning. And during use, the dosage should be precisely controlled to avoid waste and environmental pollution. If there is waste, it should be properly disposed of in accordance with relevant regulations and cannot be discarded at will.