Chemical Formula | C28H21F9O2 |
Molecular Weight | 574.45 |
Chemical Formula | C30H23F9O2 |
Molecular Weight | 604.48 g/mol |
Physical State | Solid (predicted) |
Boiling Point | Estimated around 520 - 540 °C |
Melting Point | Predicted to be in the range of 100 - 120 °C |
Solubility In Water | Low solubility, hydrophobic nature |
Logp Octanol Water Partition Coefficient | High value, indicating lipophilicity |
Vapor Pressure | Very low vapor pressure |
Density | Estimated around 1.4 - 1.6 g/cm³ |
Refractive Index | Predicted around 1.49 - 1.51 |
What is the chemical structure of 2- [4 '- [Difluoro (3,4,5-trifluorophenoxy) methyl] - 3', 5 '-difluoro [1,1' -biphenyl] - 4 - yl] -5 - ethyltetrahydro - 2H - pyran?
This is the naming of an organic compound. To know its chemical structure, it is necessary to follow the naming rules step by step. "2 - [4 '- [difluoro (3,4,5-trifluorophenoxy) methyl] - 3', 5 '-difluoro [1,1' -biphenyl] - 4-yl] - 5 -ethyltetrahydro-2H-pyran", the main structure is "tetrahydro-2H-pyran", which is a six-membered cyclic structure with an oxygen atom on the ring. A complex substituent is connected at the 2 position. In this substituent, the core is "[1,1 '-biphenyl]", that is, two benzene rings are connected at the 1,1' position. At the 4 'position of biphenyl, there is a "[difluoro (3,4,5-trifluorophenoxy) methyl]" substitution. This substituent indicates that there is a fluorine atom attached to each of the 3,4,5 positions of a phenoxy group, and there are two fluorine atoms attached to the methyl group attached to the phenoxy group. At the same time, there is an ethyl group attached to the 5 positions of tetrahydro-2H-pyran. In this way, the chemical structure of this compound is dissected according to the naming rules.
2- [4 '- [Difluoro (3,4,5-trifluorophenoxy) methyl] - 3', 5 '-difluoro [1,1' -biphenyl] - 4 - yl] -5 - ethyltetrahydro - 2H - What are the main uses of pyran?
2-%5B4%E2%80%99-%5BDifluoro%283%2C4%2C5-trifluorophenoxy%29methyl%5D+-+3%E2%80%99%2C5%E2%80%99+-+difluoro%5B1%2C1%E2%80%99+-+biphenyl%5D+-+4+-+yl%5D-5+-+ethyltetrahydro+-+2H+-+pyran is an organic compound with a wide range of uses.
In the field of medicinal chemistry, it may have potential medicinal value. Due to the combination of specific fluorine atoms and aryl groups in the structure, it is endowed with unique physicochemical properties or can interact with specific targets in organisms. For example, some fluorine-containing organic compounds can exhibit good biological activity, metabolic stability and membrane permeability, so the compound may be used as a lead compound, and the structure can be modified and optimized to develop new therapeutic drugs to deal with specific diseases, such as certain inflammation-related diseases or specific tumor diseases, or can play a therapeutic effect by regulating related biological pathways.
In the field of materials science, this compound may have applications. Its special molecular structure may endow materials with specific properties, such as in optical materials, or its structural characteristics affect intramolecular charge transfer and photophysical properties, so it can be applied to organic Light Emitting Diode (OLED) materials to improve luminous efficiency and stability; in the field of polymer materials, or as a comonomer to participate in polymerization reactions, changing the properties of polymer materials, such as improving the thermal stability, chemical stability and mechanical properties of materials.
In addition, in agricultural chemistry, there are also potential uses. Due to the fact that fluorinated compounds often have certain biological activity and stability, the compounds may be developed into new pesticides, such as insecticides, fungicides or herbicides, etc. With their unique structure and properties, they can play a role in specific agricultural pests, and may have characteristics such as low toxicity, high efficiency and environmental friendliness, contributing to the sustainable development of agriculture.
2- [4 '- [Difluoro (3,4,5-trifluorophenoxy) methyl] - 3', 5 '- difluoro [1,1' -biphenyl] - 4 - yl] -5 - ethyltetrahydro - 2H - pyran What is the synthesis method?
Looking at the name of this compound, I know that its structure is complex and the synthesis road will be difficult. To prepare 2 - [4 '- [Difluoro (3,4,5 - trifluorophenoxy) methyl] - 3', 5 '- difluoro [1,1' -biphenyl] - 4 - yl] - 5 - ethyltetrahydro - 2H - pyran, the following method can be followed.
First, the skeleton of [1,1 '-biphenyl] can be constructed first. Or use Suzuki coupling reaction to choose suitable halogenated aromatics and arylboronic acid as raw materials. Halogenated 3,5-difluorobenzene and 4-boronic acid-based benzene derivatives are used as starting materials, and the reaction is heated in a palladium catalyst, a base and a suitable solvent. The reaction conditions are mild and the 3 ', 5' -difluoro- [1,1 '-biphenyl] - 4 - derivative can be efficiently obtained.
Second, difluoro (3,4,5-trifluorophenoxy) methyl is introduced at the 4' position. First, 3,4,5-trifluorophenol is prepared, treated with a suitable base to form a phenol salt, and then reacted with a difluoromethyl halide to obtain a difluoro (3,4,5-trifluorophenoxy) methane derivative. Then this derivative is reacted with the above-mentioned 3 ', 5' -difluoro- [1,1 '-biphenyl] -4' derivative, or with nucleophilic substitution, to obtain the key intermediate 2 - [4 '- [Difluoro (3,4,5 - trifluorophenoxy) methyl] - 3', 5 '-difluoro [1,1' -biphenyl] - 4 - yl] compound.
Furthermore, a tetrahydro-2H-pyran ring is constructed and 5-ethyl is introduced. Aldol ethers or allyl alcohol derivatives can be used with aldodes or ketones through suitable reactions, such as Prins reactions or related cyclization reactions. First, the allyl alcohol derivative containing 5-ethyl group is reacted with the above key intermediate under acid catalysis to initiate cyclization to form a tetrahydro-2H-pyran ring, and the final target product is 2 - [4 '- [Difluoro (3,4,5 - trifluorophenoxy) methyl] - 3', 5 '- difluoro [1,1' - biphenyl] - 4 - yl] - 5 - ethyltetrahydro - 2H - pyran. < Br >
However, in the process of synthesis, the reaction conditions of each step need to be fine-tuned, and the proportion of materials, temperature, reaction time, etc. are all critical, and the product after each step needs to be refined to ensure the smoothness of the next step and the purity of the final product.
2- [4 '- [Difluoro (3,4,5-trifluorophenoxy) methyl] - 3', 5 '-difluoro [1,1' -biphenyl] - 4 - yl] -5 - ethyltetrahydro - 2H - What are the physical properties of pyran?
2-%5B4%E2%80%99-%5BDifluoro%283%2C4%2C5-trifluorophenoxy%29methyl%5D+-+3%E2%80%99%2C5%E2%80%99+-+difluoro%5B1%2C1%E2%80%99+-+biphenyl%5D+-+4+-+yl%5D-5+-+ethyltetrahydro+-+2H+-+pyran is an organic compound with unique physical properties, which are detailed as follows:
- ** Phase state and color **: Under normal temperature and pressure, this compound is mostly colorless to light yellow oily liquid, uniform in texture, clear in appearance, like a clear spring, without any impurities and turbidity.
- ** Melting point and boiling point **: The melting point is about -20 ° C to -15 ° C. Within this temperature limit, the substance gradually melts from solid to liquid. The boiling point is roughly in the range of 350 ° C to 360 ° C. At this high temperature, the compound is converted from liquid to gas. The values of melting point and boiling point are closely related to the intermolecular forces, and their molecular structure results in moderate intermolecular forces, resulting in such a melting boiling point range.
- ** Density **: The density is about 1.35 - 1.40 g/cm ³, which is slightly higher than that of common organic solvents. Due to the large number of atoms in the molecule and the large atomic weight, the mass per unit volume is relatively high.
- ** Solubility **: In organic solvents such as dichloromethane, chloroform, and toluene, the compound has good solubility and can be miscible with these solvents in any ratio, just like fish water. However, in water, its solubility is extremely low and it is almost insoluble. This is because the molecular polarity of the compound is weak, and water is a strong polar solvent. According to the principle of "similar miscibility", it is difficult to dissolve in water.
- ** Stability **: Under normal environmental conditions, the compound has certain stability. However, when exposed to high temperatures, strong oxidants or specific catalysts, the molecular structure may change, triggering chemical reactions. For example, at high temperatures and in the presence of strong oxidants, some chemical bonds in the molecule may break and an oxidation reaction occurs, resulting in a change in the properties of the compound.
2- [4 '- [Difluoro (3,4,5-trifluorophenoxy) methyl] - 3', 5 '- difluoro [1,1' -biphenyl] - 4 - yl] -5 - ethyltetrahydro - 2H - pyran What is the market outlook?
I look at this 2 - [4 '- [difluoro (3,4,5-trifluorophenoxy) methyl] - 3', 5 '-difluoro [1,1' -biphenyl] - 4-yl] - 5-ethyltetrahydro-2H-pyran, a chemical substance. Its market prospects are quite complex and need to be considered.
The market of Guanfu chemical substances is the first use. If this substance is used in the field of medicine, it can be used as an active ingredient or a key intermediate in synthesis, and its prospects are promising. In the pharmaceutical industry, there is a constant demand. If it can be proved to be effective in the treatment of diseases, and it is safe and reliable, pharmaceutical companies will compete and the market will flourish. For example, the discovery of artemisinin in the past, which was effective in the treatment of malaria, was widely used in the world, and its related industries also flourished.
Furthermore, the field of materials is also a consideration. If this substance has special physical and chemical properties, such as excellent thermal stability, optical properties, etc., it may be useful in polymer materials, electronic materials, etc. Nowadays, the electronics industry is developing rapidly, and the demand for new materials is increasing day by day. If it can meet its needs, the market will also be broad.
However, the market prospect is also restricted by many parties. The cost of synthesis is a major factor. If the synthesis steps are complicated, the raw materials are expensive, and the cost remains high, it will limit its large-scale production and application. Just like some rare metal compounds, although they have excellent performance, they are difficult to promote on a large scale due to cost issues.
Regulations and policies also have far-reaching implications. The production, use, and sale of chemical substances are all regulated by regulations. If they fail to meet relevant standards, even if the prospects are promising, it will be difficult to enter the market.
The competitive situation should not be underestimated. The field of chemistry is developing rapidly, and similar or alternative products may already exist. If this substance does not have significant advantages, it may be difficult to stand out.
From a comprehensive perspective, the market prospect of 2- [4 '- [difluoro (3,4,5-trifluorophenoxy) methyl] - 3', 5 '-difluoro [1,1' -biphenyl] - 4-yl] - 5-ethyltetrahydro-2H-pyran, although there are opportunities, there are also many challenges. It is necessary to operate carefully in terms of application expansion, cost control, regulatory compliance, and competition response to have a bright future.