What is the chemical structure of -5-fluoro-3-methylisobenzofuran-1 (3H) -one?

((2S) -5-fluoro-3-methylisobenzofuran-1 (3H) -one) The chemical structure of this compound is as follows:

The compound belongs to isobenzofuran-1 (3H) -one derivatives. In its structure, the parent nucleus of isobenzofuran-1 (3H) -one is the basic structure. The parent nucleus is formed by fusing a benzene ring with a furanone ring to form a unique bilicyclic system.

At a specific position in the parent nucleus, a key substitution occurs. The introduction of fluorine atoms at position 5 has a significant impact on the electron cloud distribution, polarity and biological activity of the compound due to its high electronegativity. At position 3, there are methyl substituents, and the introduction of methyl groups can change the steric hindrance and lipophilicity of the molecule.

The stereoconfiguration of position 2 is S-type, and the stereoconfiguration also plays a key role in the biological activity of the compound and the interaction with the receptor. Isomers of different stereoconfigurations may behave differently in vivo.

The overall structure of this compound is endowed with unique physical, chemical and biological characteristics due to these substituents and specific stereoconfigurations, and may have potential research and application value in the fields of organic synthesis, medicinal chemistry, etc.

(S) What are the main uses of -5-fluoro-3-methylisobenzofuran-1 (3H) -one?

(S) -5-fluoro-3-methylisobenzofuran-1 (3H) -one is one of the organic compounds. It has a wide range of uses and is often used as a key intermediate in the field of medicinal chemistry. Due to its unique structure, it can participate in various chemical reactions and help create drug molecules with specific biological activities.

In the process of drug development, this is used as a starting material, and after multiple steps of exquisite synthesis, new drugs for specific diseases may be obtained. For example, for certain inflammatory or tumor diseases, relevant researchers can find therapeutic drugs with good efficacy and low side effects by modifying and modifying their structures.

In the field of materials science, (S) -5 -fluoro-3-methylisobenzofuran-1 (3H) -ketone also has potential applications. Or it can be used to prepare polymer materials with special properties, such as improving the optical and electrical properties of materials. Because of the synergistic effect of fluorine atoms and other groups in its structure, it may endow materials with novel characteristics, contributing to the innovation and development of materials.

In addition, in organic synthesis chemistry, it is often an important cornerstone for the construction of complex organic molecular structures. With their unique reactivity, chemists ingeniously design reaction paths, expand the structural diversity of organic compounds, and promote the continuous progress of organic synthetic chemistry, resulting in more novel and practical compounds.

What are the synthesis methods for -5-fluoro-3-methylisobenzofuran-1 (3H) -one?

The synthesis of (S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one is a subject of considerable interest in organic synthesis chemistry. There are various strategies for its synthesis.

One is that it can be initiated by a specific aromatic compound. It is first fluorinated with a fluorine-containing reagent. In this process, the reaction conditions such as temperature, catalyst type and dosage need to be carefully regulated. After fluorination, the core structure of isobenzofuran is constructed through ingenious intramolecular cyclization. This cyclization step often requires a specific reaction medium and accelerator to ensure that the reaction proceeds in the desired direction and efficiently generates the basic structure of the target product.

Second, furan compounds with suitable substituents are also used as raw materials. Through targeted modification and transformation of its substituents, methyl groups are introduced first, which may involve classic reaction mechanisms such as nucleophilic substitution. Subsequently, through the synergistic process of oxidation and cyclization, the structure of isobenzofuran-1 (3H) -one was constructed, and fluorine atoms were introduced precisely at the right position, and finally (S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one was obtained.

Furthermore, the reaction path catalyzed by transition metals can also be used. With transition metals as the core, through their unique catalytic activity, a series of reactions such as coupling and cyclization between substrate molecules occur. In this path, the choice of transition metal catalysts is the key, and different metal and ligand combinations will significantly affect the selectivity and efficiency of the reaction. The solvent, the type of base and other factors in the reaction system also need to be carefully considered before the effective synthesis of (S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one can be achieved.

What are the physical properties of -5-fluoro-3-methylisobenzofuran-1 (3H) -one?

(S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one is one of the organic compounds. Its physical properties are of great research value.

Looking at its appearance, under room temperature and pressure, it is mostly white to light yellow crystalline powder with fine texture, like the first snow in winter, delicate and pure, giving people a sense of simplicity. This form is conducive to observation and operation, and is easy to use and weigh in many chemical experiments and industrial production.

When it comes to melting point, it has been accurately determined to be within a specific temperature range. The melting point is the critical temperature at which a substance changes from solid to liquid. This property is of great significance for the identification of the purity of a compound and its state under different temperature environments. The melting point of (S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one is like a precise ruler, providing an important basis for distinguishing its quality.

In terms of solubility, it shows unique solubility characteristics in common organic solvents. In some organic solvents, it can be moderately dissolved, just like a fish getting water, and the interaction between molecules makes it evenly dispersed. In water, the degree of solubility is relatively limited. This difference in solubility plays a key guiding role in the separation, purification and selection of chemical reaction media for compounds.

Its density is also one of the important physical properties. Density represents the mass of a substance per unit volume, and specific values can be obtained by precise measurement. This value is not only related to the physical properties of the compound itself, but also a key factor to consider in practical application scenarios such as storage and transportation. It determines the size of the space occupied by the substance and the requirements for storage containers.

In addition, the stability of (S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one cannot be ignored. Under normal environmental conditions, it can maintain a relatively stable chemical structure and is not prone to spontaneous decomposition or transformation reactions. In case of specific extreme conditions, such as high temperature, strong acid and alkali, its stability may be challenged, and the molecular structure may change.

The various physical properties are interrelated and together constitute the unique physical "portrait" of (S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one, which lays a solid foundation for its in-depth research and wide application in the field of chemistry.

(S) What is the market outlook for -5-fluoro-3-methylisobenzofuran-1 (3H) -one?

Nowadays, there is (2S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one, which is quite promising in the market. This substance has its potential in various fields, so its market situation is related to many things.

In the field of medicine, (2S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one may have unique pharmacological activities. Due to its structural characteristics, it may be a key raw material for the development of new drugs. Today, pharmaceutical research, multi-directional precision medicine, targeted drugs. This substance may be in response to such research and development, assisting the progress of the medical and pharmaceutical industry. In today's market, there is a strong demand for innovative drugs. If this is the basis for the development of effective new drugs, it can occupy a seat in the market and have a promising future.

In the chemical industry, (2S) -5-fluoro-3-methylisobenzofuran-1 (3H) -one can be used as an intermediate for special chemicals. In chemical manufacturing, new raw materials are often sought to create high-quality products. This substance has a novel structure or exhibits excellent performance when synthesizing high-end chemical materials. With the transformation of the chemical industry to green and efficient, if its synthesis method can meet this trend, it can also be used in the chemical market.

However, its entry into the market also poses challenges. The synthesis process may need to be refined. If the synthesis cost is high, it is difficult to have price competitiveness. And market awareness also needs to be cultivated. Many manufacturers and researchers still need to have a deep understanding of its performance and application. But overall, if the synthesis cost dilemma can be solved and its use is widely publicized, (2S) -5-fluoro-3-methyl isobenzofuran-1 (3H) -one may have a bright future in the market, which can bring new opportunities to related industries.