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What is the molecular formula of 2 - [ (Z) - (3,4-dihydroxyphenyl) (3-hydroxy-4-oxocyclohexyl-2,5-diene-1-subunit) methyl] benzenesulfonic acid
This is a question about the molecular structure of (Z) - (3,4-difluorobenzyl) (3-fluoro-4-oxo-cyclohexane-2,5-diene-1-subunit) methylbenzoic acid.
To solve this problem, it is necessary to analyze the rules of organic chemistry and related knowledge. First, pay attention to the composition and structural characteristics of each group. " 3,4-Difluorobenzyl ", it can be seen that benzyl is benzyl, and there are fluorine atoms attached to the 3rd and 4th positions of the benzene ring in this group;" 3-fluoro-4-oxo-cyclohexane-2,5-diene-1-subunit ", indicating that the cyclohexene structure has a fluorine atom at the 3rd position, an oxo group at the 4th position, and a double bond at the 2nd and 5th positions, and a subunit is formed at the 1st position;" methylbenzoic acid ", that is, a methyl group is attached to the benzene ring of benzoic acid.
The parts are integrated, with the benzene ring as the core, one side is connected with a benzyl group with a specific substituent, and the other side is connected with a structure composed of a specific substituted cyclohexene subunit and methylbenzoic acid. The molecular structure formula is roughly as follows: first draw a benzene ring, and connect 3,4-difluorobenzyl at a certain position in the benzene ring. The benzene ring of the benzyl group is connected to the main benzene ring, and there are fluorine atoms substituted at the 3 and 4 positions; at another position in the benzene ring, connect the (3-fluoro-4-oxo-cyclohexane-2,5-diene-1-subunit) methylbenzoic acid part, wherein the cyclohexene structure is connected to the benzene ring through a subunit, and the cyclohexene has a fluorine atom at the 3-position, an oxo-group at the 4-position, and a double bond at the 2 and 5 positions; and the methylbenzoic acid part, the benzene Thus, the molecular structural formula of (Z) - (3,4-difluorobenzyl) (3-fluoro-4-oxo-cyclohexyl-2,5-diene-1-subunit) methylbenzoic acid can be obtained.
What are the main uses of 2 - [ (Z) - (3,4-dihydroxyphenyl) (3-hydroxy-4-oxocyclohexyl-2,5-diene-1-subunit) methyl] benzenesulfonic acid
(The following is answered in a style similar to that of ancient literature)
This [ (Z) - (3,4-dihydroxybenzylidene) (3-hydroxy-4-oxo-cyclohexyl-2,5-diene-1-subunit) methyl] benzoic acid, its use is quite important. In the field of medicine, it is often used as an active ingredient and can participate in the regulation of human physiology. It may act on specific receptors, affect cell signaling pathways, and then have the effect of relieving and treating diseases. For example, in some inflammation-related diseases, it may inhibit the release of inflammatory mediators and reduce inflammatory responses.
In the chemical industry, it is also valuable. It can be used as a raw material for the synthesis of special materials, and its unique chemical structure can give the material specific properties. For example, in the synthesis of polymer materials, it participates in polymerization reactions and changes the physical and chemical properties of the material, such as enhancing the stability and flexibility of the material.
In scientific research and exploration, it is an important research object. Scientists expand the boundaries of chemical knowledge by studying its reaction mechanism and interacting with other substances, providing a theoretical basis for the development of new drugs and the creation of new materials. Through in-depth investigation of the relationship between its structure and properties, it is expected to develop more efficient and targeted compounds.
This compound plays a key role in medicine, chemical industry, scientific research and other fields, and is a chemical substance that cannot be ignored.
What are the physicochemical properties of 2 - [ (Z) - (3,4-dihydroxyphenyl) (3-hydroxy-4-oxocyclohexyl-2,5-diene-1-subunit) methyl] benzenesulfonic acid
The physical and chemical properties of [ (Z) - (3,4-difluorobenzyl) (3-fluoro-4-oxo-cyclohexyl-2,5-diene-1-subunit) methyl] benzoic acid are as follows:
** 1. Physical properties **
1. ** Appearance **: Usually white to quasi-white crystalline powder. This is due to factors such as intermolecular forces and crystal structure, which cause it to exist in this form at room temperature and pressure. Many such organic compounds containing benzene rings and specific substituents are mostly crystalline powders.
2. ** Melting point **: Experimentally determined that its melting point is in a specific temperature range. This is mainly determined by the interaction forces between molecules, such as hydrogen bonds, van der Waals forces, etc. The rigidity of the benzene ring in the molecular structure and the properties of the substituents will affect the way the molecules are piled up, which in turn affects the melting point.
3. ** Solubility **: Slightly soluble in water. The reason is that although there are polar groups in the compound molecule, the overall benzene ring structure and longer carbon chain make it more hydrophobic. However, it is soluble in some organic solvents, such as dichloromethane, N, N-dimethylformamide, etc. This is because these organic solvents and compound molecules can form similar intermolecular forces, following the principle of "similar miscibility".
** Second, chemical properties **
1. ** Stability **: Under conventional temperature, humidity and light conditions, it has certain stability. However, in strong acid and alkali environments, reactions may occur. Because its molecular structure contains ester groups, hydrolysis reactions can occur under acid-base catalysis. At the same time, the substituents on the benzene ring may also undergo electrophilic substitution and other reactions under specific conditions.
2. ** Reactive activity **: The fluorine atoms on the benzene ring reduce the electron cloud density of the benzene ring. In the electrophilic substitution reaction, compared with benzene, the reactive activity is reduced, but such reactions can still occur. And the double bond on the side chain can undergo an addition reaction, and under suitable catalyst and reaction conditions, it can be added with hydrogen, halogen, etc.
2 - [ (Z) - (3,4-dihydroxyphenyl) (3-hydroxy-4-oxo-cyclohexyl-2,5-diene-1-subunit) methyl] benzenesulfonic acid is used in which fields
(The description of chemical substances in this paragraph is extremely complex and irregular, so try to interpret it in an ancient style as required)
Looking at the chemical substances described here, [ (Z) - (3,4-difluorobenzyl) (3-fluoro-4-oxo-cyclohexyl-2,5-diene-1-subunit) methyl] benzoic acid, its application is really related to many fields.
In the field of medicine, such compounds may have unique biological activities. The ingenious combination of fluorine atoms and various groups in the structure may be able to combine with specific targets in organisms. For example, some fluorobenzoic acid derivatives can regulate the activity of specific enzymes, or interfere with cell signaling pathways, and then be used for the treatment of diseases, such as inflammation, tumors and other diseases.
In the field of materials science, it can also be used. With its unique molecular structure, it may improve the physical and chemical properties of materials. For example, it can be integrated into polymer materials as additives to enhance the stability and corrosion resistance of materials. Due to the interaction between special groups in the molecule, it may improve the mechanical properties of materials, and has potential application value in aerospace, electronic equipment and other fields that require strict material properties.
In the agricultural field, such substances can be developed into new pesticides after appropriate modification. Utilizing its mechanism of action on specific organisms to achieve efficient insect control and weeding, and compared with traditional pesticides, it may have the advantages of low toxicity and environmental protection, which is conducive to the development of sustainable agriculture.
In summary, [ (Z) - (3,4-difluorobenzyl) (3-fluoro-4-oxo-cyclohexyl-2,5-diene-1-subunit) methyl] benzoic acid has potential application opportunities in many fields such as medicine, materials, and agriculture. It is up to researchers to explore in depth to reveal its more functions.
What is the synthesis method of 2 - [ (Z) - (3,4-dihydroxyphenyl) (3-hydroxy-4-oxocyclohexyl-2,5-diene-1-subunit) methyl] benzenesulfonic acid
To prepare this [ (Z) - (3,4-difluorobenzyl) (3-fluoro-4-oxo-cyclohexyl-2,5-diene-1-subunit) methyl] benzoic acid, according to the following ancient method:
First, with suitable starting materials, 3-fluoro-4-oxo-cyclohexyl-2,5-diene-1-subunit compound is obtained. The key intermediate of 3-fluoro-4-oxo-cyclohexyl-2,5-diene-1-subunit is obtained by a series of conversions of fluorine-containing aromatic compounds and alkenones with appropriate substituents under suitable catalysts and reaction conditions.
Simultaneously, 3,4-difluorobenzyl reagents were prepared. It can be started with 3,4-difluorotoluene, and through a halogenation reaction, a halogen (such as bromine or chlorine) is introduced into a halogen atom at the benzyl position under the action of light or an initiator to generate 3,4-difluorobenzyl halides. Then, it is formed with a metal reagent (such as magnesium to form a Grignard reagent, or reacted with a lithium reagent) to prepare an active 3,4-difluorobenzyl metal reagent.
Then the above two are combined in a suitable solvent (such as an ether or an aromatic hydrocarbon solvent) in the presence of a base to carry out a nucleophilic substitution reaction. The base can be selected from potassium carbonate, potassium tert-butyl alcohol, etc., which prompts the 3,4-difluorobenzyl metal reagent to nucleophilic attack on the specific position of the 3-fluoro-4-oxycyclohexyl-2,5-diene-1-subunit compound, forming a carbon-carbon bond, resulting in [ (Z) - (3,4-difluorobenzyl) (3-fluoro-4-oxycyclohexyl-2,5-diene-1-subunit) methyl] compounds.
Finally, the obtained product is oxidized, and the substituent in its appropriate position is oxidized to a carboxyl group to obtain the target [ (Z) - (3,4-difluorobenzyl) (3-fluoro-4-oxycyclohexyl-2,5-diene-1-subunit) methyl] benzoic acid. The oxidation step can be selected with strong oxidizing agents such as potassium permanganate and potassium dichromate, carried out under suitable pH and temperature conditions, and the reaction process is carefully regulated to make the oxidation reaction occur precisely at the desired position, and to avoid the occurrence of side reactions such as excessive oxidation, and finally obtain a pure target product.