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What is the chemical structure of 3-methyl-benzo [b] thiophene-2-carbonitrile
3 - methyl - benzo [b] thiophene - 2 - carbonitrile is an organic compound with a unique chemical structure. The main structure of this compound is a benzothiophene ring, which is fused from a benzene ring and a thiophene ring, just like the two rings are closely interdependent and integrated.
At a specific position of the benzothiophene ring, that is, at position 3, there is a methyl group attached, which is like adding a unique logo here. At position 2, the nitrile group is connected. The nitrile group is connected by a three-bond between a carbon atom and a nitrogen atom, and its properties are active, giving the whole molecule a unique chemical activity.
This structure endows 3 - methyl - benzo [b] thiophene - 2 - carbonitrile with unique physical and chemical properties. In the field of organic synthesis, it often becomes a key intermediate for the construction of more complex organic molecules due to its special structure and activity. In the field of materials science, or because of its structural properties, it shows specific photoelectric properties and is expected to be applied to the creation of new materials. Its unique chemical structure provides a broad space for researchers to deeply explore the mysteries of organic chemistry and open up new application fields, like a unique key to open the door to the treasure of organic chemistry.
What are the main uses of 3-methyl-benzo [b] thiophene-2-carbonitrile
3-Methyl-benzo [b] thiophene-2-carbonitrile (3-methyl-benzo [b] thiophene-2-formonitrile) is an important compound in the field of organic synthesis and has a wide range of uses.
First, in the field of pharmaceutical chemistry, it is often used as a key intermediate. The construction of many drug molecules depends on its unique structure. The presence of genbenzothiophene and nitrile groups endows the compound with specific biological activities and physicochemical properties. Using this as a starting material, through a series of chemical transformations, various functional groups can be introduced to prepare drugs with different pharmacological activities. For example, in the development of some drugs with anti-tumor activity, 3-methyl-benzo [b] thiophene-2-carbonitrile can be modified to bind to specific tumor cell targets, interfere with tumor cell growth and proliferation-related signaling pathways, and then exert anti-cancer effects.
Second, it also has important uses in the field of materials science. Due to its stable structure and certain conjugate system, it can be used to prepare organic optoelectronic materials. After appropriate chemical modification, the compound can be used to prepare organic Light Emitting Diode (OLED) materials. In OLED devices, it can be used as a light-emitting layer or a transport layer material, and its conjugate structure can be used to achieve efficient charge transfer and luminescence processes, improving the luminous efficiency and stability of OLED devices, which is of great significance in the field of display technology.
Third, in the field of pesticide chemistry, 3-methyl-benzo [b] thiophene-2-carbonitrile can be derived from compounds with insecticidal and bactericidal activities. After structural optimization, the synthesized derivatives can specifically act on the specific physiological processes of pests or pathogens, such as interfering with the nervous system of pests or the synthesis of pathogen cell walls, thereby achieving good control effects and providing effective means for pest control in agricultural production.
What are the synthesis methods of 3-methyl-benzo [b] thiophene-2-carbonitrile
3 - methyl - benzo [b] thiophene - 2 - carbonitrile, that is, 3 - methyl - benzo [b] thiophene - 2 - formonitrile, its synthesis method is common as follows:
First, it can be 3 - methylbenzo [b] thiophene starting. First, 3-methylbenzo [b] thiophene is halogenated to introduce halogen atoms at suitable positions, such as bromine atoms at the 2-position. The reagent used can be N-bromosuccinimide (NBS). In the presence of an initiator such as benzoyl peroxide (BPO) and under lighting conditions, a free radical substitution reaction occurs to generate 2-bromo-3-methylbenzo [b] thiophene. Then, the bromide product and cuprous cyanide (CuCN) are heated and refluxed in a high-boiling polar solvent such as N, N-dimethylformamide (DMF), and the bromine atom is replaced by a cyanyl group to obtain 3-methyl-benzo [b] thiophene-2-formonitrile. In this process, the halogenation step needs to pay attention to the mild control of the reaction conditions to avoid the generation of polyhalogenated by-products; the cyanyl substitution step should ensure the purity of the reagent and the reaction system is anhydrous, because water will decompose cuprous cyanide, which will affect the reaction progress.
Second, a suitable thiophene derivative is used as the starting material to construct a benzothiophene ring. For example, using 2-methyl-3- (2-bromophenyl) thiophene as a raw material, in the presence of palladium catalysts such as tetrakis (triphenylphosphine) palladium (Pd (PPh)) and bases such as potassium carbonate (K ² CO ²), cyanylation occurs with zinc cyanide (Zn (CN) ²), and during the reaction, the benzo [b] thiophene ring is constructed by means of an intramolecular ring-closing reaction, and the final product is 3-methyl-benzo [b] thiophene-2-formonitrile. This route requires precise control of catalyst dosage and reaction temperature. Palladium catalysts are expensive, and excessive dosage increases costs and may lead to side reactions. Improper temperature will affect the balance and rate of cyclization and cyanylation reactions.
What are the physical properties of 3-methyl-benzo [b] thiophene-2-carbonitrile
3-Methyl-benzo [b] thiophene-2-formonitrile is one of the organic compounds. Its physical properties are worth exploring, and I am here to describe them in detail.
Looking at its morphology, under normal temperature and pressure, this compound is often in a solid state. The color may be white to yellowish, and the appearance is delicate, resembling a micropoly. Its melting point is about [X] ° C. The melting point is the critical temperature at which a substance changes from solid to liquid. This value is crucial when identifying and purifying the compound.
As for the boiling point, its value is about [X] ° C due to intermolecular forces. The boiling point is the temperature at which the saturated vapor pressure of the liquid is equal to the external atmospheric pressure. It is an indispensable parameter in the process of separating and refining the compound.
In terms of solubility, this substance has a certain solubility in organic solvents such as dichloromethane and chloroform. Due to the principle of "similarity and miscibility", its molecular structure is compatible with this type of organic solvent, so it can miscible with each other. However, in water, its solubility is very small, because the polarity of water molecules is quite different from the structure of the compound, and the interaction is weak.
Density is also one of its important physical properties, about [X] g/cm ³. This value reflects the mass per unit volume of a substance. In chemical production and related research, it is related to the measurement and mixing ratio of the material.
In addition, the stability of the compound also needs to be considered. Under normal conditions, its structure is relatively stable. In case of extreme conditions such as high temperature and strong oxidants, or chemical reactions may be triggered, resulting in structural changes.
The physical properties of 3-methyl-benzo [b] thiophene-2-formonitrile are of great significance in the fields of organic synthesis and materials science, laying the foundation for related research and applications.
What is the market prospect of 3-methyl-benzo [b] thiophene-2-carbonitrile?
3-Methyl-benzo [b] thiophene-2-carbonitrile, Chinese name 3-methyl-benzo [b] thiophene-2-formonitrile, has emerged in the field of chemical industry and materials, and the market prospect is quite promising.
Looking at its application, in the field of organic synthesis, it is a key building block for building complex organic molecules. With its unique chemical structure, it can undergo various chemical reactions to derive many high value-added compounds, especially in the field of medicinal chemistry. Many researchers use it as a starting material to carefully create new compounds with biological activity, hoping to develop innovative drugs with excellent efficacy. Therefore, in the process of new drug research and development, the potential is unlimited, attracting countless pharmaceutical companies and scientific research institutions to compete for investment.
In the field of materials science, 3-methyl-benzo [b] thiophene-2-formonitrile also shines. Due to its special electronic structure and stability, it is suitable for the preparation of organic optoelectronic materials. The materials made from this basis have shown extraordinary performance in cutting-edge fields such as organic Light Emitting Diode (OLED) and organic solar cells, which have greatly promoted technological innovation and product upgrading in related industries.
Looking at the market supply and demand, with the rapid development of science and technology, the demand for new organic compounds is increasing day by day. Due to the wide application of this compound in the field of drugs and materials, the market demand continues to rise. However, its synthesis process has certain complexity, and the production technology and equipment requirements are strict, resulting in the current output is still difficult to fully meet the market.
In terms of market competition, a small number of companies and scientific research teams with advanced synthesis technology occupy a leading position. With their technical advantages and patent barriers, they have the voice over the market. However, with the rising popularity of this field, many new enterprises and scientific research forces have also come one after another, and the market competition has become increasingly fierce. In the future, to gain a firm foothold in the market, the key lies in continuously optimizing the synthesis process, improving product quality and output, and at the same time strengthening R & D innovation to expand new application fields.