5-fluoro-1-benzothiophene-2-carboxylate

The chemical structure of 5-fluoro-1-benzothiophene-2-carboxylate is composed of three main structural units.
The first is the benzothiophene ring, which is the core skeleton of the compound. The benzothiophene ring is formed by fusing the benzene ring and the thiophene ring, and the two share two adjacent carbon-carbon bonds, so that the molecule has a unique conjugation system, which has a profound impact on its physical and chemical properties. The benzothiophene ring endows the molecule with certain planarity and stability. Due to the existence of conjugation, the electron cloud can delocalize the entire ring system, improve the molecular stability, and affect its electronic spectrum and redox properties.
5-position fluorine atom substitution, that is, the hydrogen atom at the 5-position of the benzothiophene ring is replaced by a fluorine atom. Fluorine atoms have high electronegativity and change the molecular electron cloud distribution after introduction. Due to the electron-absorbing effect of fluorine atoms, the electron cloud density of the benzothiophene ring is reduced, which affects the electrophilic substitution reaction activity on the ring, and makes the reaction check point different from when it is not substituted. At the same time, fluorine atoms have a key influence on the lipid solubility and biological activity of molecules. In the field of medicinal chemistry, fluorine-containing compounds often have unique biological activities. Because fluorine atoms and hydrogen atoms have similar radii, they can change the molecular conformation, metabolic stability
2-carboxylate structure, carboxylate form is -COO M 🥰 (M is a metal cation, such as sodium, potassium, etc.). The carboxylic group is acidic and can form salts with metal ions. The carboxylate structure makes the molecule water-soluble, because the ionic form is more likely to form ion-dipole interactions with water molecules. In addition, the carboxylate structure can participate in a variety of chemical reactions, such as esterification reactions, and can be used as an important intermediate in organic synthesis to build more complex compound structures.
In conclusion, the chemical structure of 5-fluoro-1-benzothiophene-2-carboxylate affects each other and jointly determines the physical, chemical and biological activities of compounds, which is of great significance in the fields of organic synthesis and medicinal chemistry.

5-Fluoro-1-benzothiophene-2-carboxylate has a wide range of uses. In the field of medicine, it is often a key intermediate for the creation of new drugs. The introduction of fluorine atoms can significantly change the physical, chemical and biological activities of compounds. This allows chemists to construct molecular structures with unique pharmacological properties, such as enhancing the affinity of drugs to specific targets, improving their bioavailability, or optimizing metabolic stability. For example, the development of some anti-cancer drugs is based on this compound, modified and modified to achieve effective inhibition of cancer cell growth and proliferation.
In the field of materials science, 5-fluoro-1-benzothiophene-2-carboxylate also has outstanding performance. It can be used to prepare functional organic materials, such as organic Light Emitting Diode (OLED) materials. Due to its unique photoelectric properties endowed by its molecular structure, it can effectively participate in the luminescence process, improve the luminous efficiency and stability of OLED devices, and make the display screen clearer and brighter, which is of great significance in the field of display technology.
Furthermore, in agricultural chemistry, this compound may be used as a raw material for the synthesis of new pesticides. By modifying its structure, pesticide products with high insecticidal, bactericidal or herbicidal activities can be developed. And because the existence of fluorine atoms may enhance the environmental durability and biological activity of pesticides, it plays an active role in ensuring crop yield and quality. In short, 5-fluoro-1-benzothiophene-2-carboxylate has shown important application value in many fields such as medicine, materials and agriculture due to its unique structure and properties, providing strong support for the innovation and development of various fields.

The synthesis method of 5-fluoro-1-benzothiophene-2-carboxylate is quite complicated, and it needs to be flexibly selected according to the specific reaction conditions and raw material conditions. The following are several common synthesis paths.
First, 5-fluoro-1-benzothiophene-2-carboxylic acid is used as the starting material to esterify with alcohols under acid catalysis. In this process, sulfuric acid, p-toluenesulfonic acid, etc. can be used as catalysts to promote esterification of the two under suitable temperature and time conditions. For example, 5-fluoro-1-benzothiophene-2-carboxylic acid is mixed with anhydrous ethanol in a certain proportion, an appropriate amount of p-toluenesulfonic acid is added, and the reaction is heated in a reflux device for several hours. After separation, purification and other steps, the target product 5-fluoro-1-benzothiophene-2-carboxylate can be obtained. The advantage of this path is that the raw materials are relatively easy to obtain and the reaction principle is clear; however, the disadvantage is that the reaction conditions are more harsh, the reaction equipment and operation requirements are higher, and there may be many side reactions.
Second, halogenated benzothiophene derivatives can be used as starting materials. The halogenation reaction of benzothiophene is first carried out, and the halogen atom is introduced at a specific position. After that, it is carboxylated by metal catalysis, and then reacted with the corresponding base to form a salt. For example, with 5-halo-1-benzothiophene as raw material, under the action of palladium catalyst, it reacts with carbon monoxide, alcohol and base to form 5-fluoro-1-benzothiophene-2-carboxylate. The advantage of this method is that the substitution position can be precisely controlled, and the yield is relatively high; however, the metal catalyst is expensive, the reaction system is complicated, and the post-processing process is cumbersome.
Third, with the help of thiophene ring construction method. Using fluorobenzene ring and sulfur-containing compound as raw materials, thiophene ring is constructed through multi-step reaction, and carboxyl group is introduced, and finally salt is formed. Although this path is more complicated and has many steps, it can achieve precise regulation of the structure of the target product, and is suitable for occasions with extremely high requirements for product purity and structure.
When synthesizing 5-fluoro-1-benzothiophene-2-carboxylate, it is necessary to comprehensively consider many factors such as raw material cost, reaction conditions, yield and product purity, and carefully select an appropriate synthesis method to achieve the ideal synthesis effect.

5-Fluoro-1-benzothiophene-2-carboxylic acid ester is a very important compound in the field of organic chemistry. Its physical properties are particularly critical and are of great significance in chemical research and practical applications.
Looking at its properties, under normal temperature and pressure, this compound is often in the shape of a solid state, or a white to light yellow crystalline powder. This color and morphology feature is helpful for researchers to initially identify. Its melting point is a significant indicator of chemical properties, and a specific melting point range can assist in confirming its purity and structure. After many experiments, the melting point of 5-fluoro-1-benzothiophene-2-carboxylic acid ester is within a certain exact temperature range. This temperature range is its inherent physical property and is closely related to intermolecular forces and crystal structure.
Solubility is also one of its important physical properties. Among common organic solvents, such as ethanol and acetone, 5-fluoro-1-benzothiophene-2-carboxylate exhibits a certain solubility. In ethanol, with the increase of temperature, the solubility increases. This is due to the increase of temperature, the intensification of molecular thermal motion, and the enhanced interaction between solvent and solute molecules. In water, its solubility is very small, which is due to the hydrophobicity of the molecular structure of the compound, which makes it difficult to dissolve in the aqueous phase with strong polarity.
In addition, the density of 5-fluoro-1-benzothiophene-2-carboxylate is also a physical property that cannot be ignored. The density value reflects the mass of the substance per unit volume and is closely related to the molecular accumulation of the compound. Accurate determination of its density has important reference value for practical application scenarios such as chemical production and drug research and development, as well as in material ratio and reaction system design. From the above, it can be seen that the physical properties of 5-fluoro-1-benzothiophene-2-carboxylic acid esters, such as properties, melting point, solubility, density, etc., are interrelated and each plays a unique role, providing a solid foundation for their use in chemical research and industrial applications.

5-Fluoro-1-benzothiophene-2-carboxylate, this product has great market prospects today.
Looking at its uses, it covers a wide range. In the field of medicine, it can be a key intermediate for the synthesis of specific drugs. Today, many difficult diseases are in urgent need of good measures, and the development of new drugs is imminent. 5-Fluoro-1-benzothiophene-2-carboxylate has a unique chemical structure, which can make the synthesized drugs act precisely on specific targets and have significant efficacy. Therefore, pharmaceutical manufacturers are increasingly in demand for it, hoping to open up the territory of new drugs to solve the suffering of patients.
In the field of materials science, it has also emerged. With the advancement of science and technology, there is a great demand for special performance materials. 5-Fluoro-1-benzothiophene-2-carboxylate can be cleverly processed and integrated into the synthesis of new materials, giving materials such as excellent stability and unique optical properties. These materials are of extraordinary value in electronic equipment, optical instruments and other industries, which can greatly improve product quality and performance, and then promote industrial upgrading.
Furthermore, from the perspective of market supply and demand. Due to the above wide range of uses, the market demand for 5-fluoro-1-benzothiophene-2-carboxylate continues to rise. In terms of current supply, although there are production enterprises involved, they are constrained by factors such as technology and production capacity, and the supply scale is still difficult to fully meet the demand. This situation of shortage of supply has led to a steady rise in market prices and considerable profit margins, which is quite attractive to production enterprises.
In addition, the research community on 5-fluoro-1-benzothiophene-2-carboxylate has also continued to deepen. New synthetic methods and new application fields have been explored frequently, laying a more solid foundation for its market expansion. With time, with the maturity of technology and the improvement of production capacity, its influence in the market will increase day by day, and the future is bright.