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What is the chemical structure of 4- {4- (4-methoxyphenyl) -5- [ (2-phenethyl) thio] -4H-1,2,4-triazole-3-yl} pyridine?
The chemical structure of this compound is analyzed according to the information given. First look at "4 - {4 - (4 - acetylphenyl) - 5 - [ (2 - phenethyl) carboxyl] - 4H - 1,2,4 - triazole - 3 - yl}".
"4 -" means the 4th position on a host structure is substituted. " 4 - (4 -Acetylphenyl) ", that is, a phenyl group is connected at the 4-position of a structure, and the 4-position of the phenyl group is connected with an acetyl group, the acetyl group is - COCH < unk >, and the phenyl group is C < unk > H < unk >, and this partial structure is C < unk > H < unk > - C (= O) - CH < unk > connected to the 4-position of the main structure.
"5 - [ (2 - phenethyl) carboxyl]", 2 - phenethyl is C H- CH ³ - CH ³ -, carboxyl is - COOH, that is, 5 digits are connected with C H- CH ³ - CH ³ - COOH.
"4H-1,2,4-triazole-3-group", 1,2,4-triazole is a five-membered heterocycle containing three nitrogen atoms, and its structure is:
N
/\
N-N
\/
C
4H epihydrogen atom is connected to the 4-position nitrogen atom, and the 3-group refers to the 3-position of the triazole ring connected to the main structure.
Overall, the chemical structure of this compound is centered on a 1, 2, 4-triazole ring, and there are substituents containing 4-acetylphenyl and 5-[ (2-phenethyl) carboxyl] at 3 positions, presenting a complex and specific spatial and connection relationship. Each part of the group affects each other, giving the compound unique chemical and physical properties.
What are the main uses of 4- {4- (4-methoxyphenyl) -5- [ (2-phenethyl) thio] -4H-1,2,4-triazole-3-yl} pyridine?
4 - {4- (4-methyl-ethoxy-phenyl) - 5 [ (2-phenethyl) carbonyl] - 4H-1,2,4-triazole-3-yl} The main uses of this substance are various.
It is used in the field of medicine, or can be used as a pharmaceutical intermediate, through specific chemical reactions, to participate in the synthesis of drug molecules with specific pharmacological activities. For example, it can be used to develop targeted therapeutic drugs for specific diseases. With its special chemical structure, it interacts with disease-related targets to achieve therapeutic effect.
In the field of pesticides, or has insecticidal and bactericidal activities. It can interfere with the normal physiological and metabolic processes of pests or pathogens, such as destroying their cellular structure, affecting their respiration or interfering with their nervous system conduction, etc., so as to achieve the purpose of preventing pests and diseases, ensuring the healthy growth of crops, and improving crop yield and quality.
In the field of materials science, or can be used as a functional additive. Adding specific materials can improve some properties of materials, such as enhancing the stability of materials, oxidation resistance or giving materials special optical and electrical properties, etc., broaden the application range of materials, and meet the special requirements of material properties in different fields. Due to its unique chemical structure, it may serve as a key synthetic building block in the field of organic synthetic chemistry, enabling organic chemists to build more complex and diverse organic molecular structures, promoting the continuous development of organic synthetic chemistry, and laying the foundation for the creation of new substances and the development of new materials.
What is the synthesis method of 4- {4- (4-methoxyphenyl) -5- [ (2-phenethyl) thio] -4H-1,2,4-triazole-3-yl} pyridine?
The synthesis method of 4- {4- (4-methoxybenzyl) -5- [ (2-phenethyl) carbonyl] -4H-1,2,4-triazole-3-yl} is as follows:
First, prepare the required raw materials and reagents, including methoxy-containing compounds, phenethyl-containing substances, related triazole starting materials, various shrinking agents, catalysts, etc.
In the reactor, first put in the methoxy-containing raw materials and dissolve them in appropriate organic solvents, such as dichloromethane, N, N-dimethylformamide, etc. Then, under the condition of low temperature and stirring, slowly add a condensing agent, such as dicyclohexyl carbodiimide (DCC), etc., to activate the raw material.
Subsequently, the phenethyl-containing compound is added dropwise to the reaction system to maintain the low temperature reaction for a period of time, so that the two are fully condensed to form a preliminary intermediate. During this time, the reaction process needs to be closely monitored, which can be detected by means of thin-layer chromatography (TLC).
After that, add triazole starters, and add an appropriate amount of catalysts, such as organic bases or metal catalysts, to raise the reaction temperature to a suitable range, so that the reaction can continue to construct the structure of 4H-1,2,4-triazole.
After the reaction is completed, the reaction solution is post-treated. First wash with an appropriate amount of dilute acid or dilute alkali solution to remove impurities such as unreacted raw materials and condensation agents. Then extract the product with an organic solvent, collect the organic phase, and dry it with a desiccant such as anhydrous sodium sulfate.
Finally, the organic solvent is removed by vacuum distillation, and then separated and purified by means of column chromatography. Pure 4- {4- (4-methoxybenzyl) -5- [ (2-phenethyl) carbonyl] -4H-1,2,4-triazole-3-yl} products can be obtained. The entire synthesis process requires strict control of the reaction conditions to ensure the smooth progress of the reaction in order to improve the yield and purity of the product.
What are the physical and chemical properties of 4- {4- (4-methoxyphenyl) -5- [ (2-phenethyl) thio] -4H-1,2,4-triazole-3-yl} pyridine?
The formula of this compound is quite complex, 4- {4- (4-methoxybenzyl) -5- [ (2-phenethyl) carbonyl] -4H-1,2,4-triazole-3-yl}, its physical and chemical properties can be analyzed as follows.
In terms of physical properties, such compounds containing heterocycles and various substituents may be solid at room temperature. Due to the presence of aromatic rings in the molecule, such as the benzene ring structure in benzyl and phenethyl groups, there is a strong π-π accumulation between the molecules, which helps to form a solid lattice structure. And the presence of methoxy group, although it is a donator group, has a limited impact on the overall molecular polarity and only slightly increases the intermolecular force. The presence of carbonyl group, due to its certain polarity, can participate in the weak interaction between molecules, such as dipole-dipole interaction, or increase the melting point and boiling point.
As for chemical properties, the 4-bit connected methoxy benzyl group, methoxy group as the donator group, can increase the electron cloud density of benzyl group o and para-bit. In the electrophilic substitution reaction, this benzyl group has high reactivity and is vulnerable to the attack of electrophilic reagents. 5-Position (2-phenethyl) carbonyl, carbonyl carbon is electrophilic and can undergo nucleophilic addition reactions, such as reactions with nucleophilic reagents containing active hydrogen, such as water, alcohols, amines, etc. 1, 2, 4-triazole ring is an electron-rich heterocycle, aromatic, electrophilic substitution reaction, and the nitrogen atom on the ring has a lone pair of electrons, which can be used as a ligand to complex with metal ions, showing unique coordination chemical properties.
The physicochemical properties of this compound are determined by the interaction of various groups in its molecular structure, and may have important applications and research values in the fields of organic synthesis, medicinal chemistry, etc.
What is the market price of 4- {4- (4-methoxyphenyl) -5- [ (2-phenethyl) thio] -4H-1,2,4-triazole-3-yl} pyridine?
The formula presented by Guan Ru is a chemical structure related expression, which involves complex groups, such as methyl, ethylphenyl, etc. It is not easy to know the price of this product in the market. Because the price of a chemical is often dependent on many factors.
First, the purity of this product is the key. If the purity is extremely high and almost perfect, it is suitable for high-end scientific research experiments, and its price is high; if the purity is lacking, it is only for general industrial use, and the price is slightly lower.
Second, the market supply and demand situation also affects the price. If the demand for this product increases sharply in a certain field at a certain time and the supply is limited, the price will rise; conversely, if the supply exceeds the demand, the price may decline.
Third, the difficulty of preparation has a great impact. If the preparation requires exquisite craftsmanship and rare raw materials, the cost will be high and the price will be high; if the preparation is convenient, the cost will be controllable and the price will be close to the people.
Fourth, regulations and policies and transportation costs also play a role. Some special chemicals are strictly controlled by regulations, and the production and sales are limited, which affects the price; the distance of transportation, the method and the special conditions required all increase the cost, which is reflected in the selling price.
Because the exact attributes and market environment of this product are not detailed, it is difficult to determine its price. For details, you should consult chemical market experts, distributors, or inquire on professional chemical trading platforms to get a more accurate price.
