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What is the chemical structure of methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylate?
Guan Jun inquired about "methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylate", which is the English name of organic compounds. According to the nomenclature of organic chemistry, its chemical structure can be deduced as follows:
The main structure of this compound is a quinoline ring, which is quite common in organic chemistry. It is formed by fusing a benzene ring with a pyridine ring. In the second position of the quinoline ring, there is a cyclopropyl group. Cyclopropyl is a ternary carbon ring with a unique tensile structure, which often affects its physical and chemical properties in organic molecules.
In the fourth position of the quinoline ring, a 4-fluorophenyl group is connected. The para-position (4-position) of this phenyl group is substituted by a fluorine atom. The introduction of fluorine atoms will significantly change the electron cloud distribution and spatial structure of the molecule, which in turn affects the activity and properties of the compound.
And at the 3rd position of the quinoline ring, there is a carboxylic acid methyl ester group, namely -COOCH. The existence of this ester group also plays an important role in the chemical behavior and physical properties of the molecule, such as hydrolysis, esterification and other reactions.
In summary, the chemical structure of "methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylate" consists of a quinoline ring with 2-position cyclopropyl group, 4-position 4-fluorophenyl group and 3-position carboxylic acid methyl ester group. This structure determines that it may have unique reactivity and potential application value in organic synthesis, medicinal chemistry and other fields.
What are the physical properties of methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylate?
Methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylic acid ester. The physical properties of this substance are related to its morphology, melting boiling point, solubility and other characteristics.
Under its normal state, it may be a solid, and it may be in a crystalline state. The crystal shape is regular and the quality is stable. The melting point of this substance is about a specific temperature range. Due to the accurate determination of rigorous experiments, it is inferred from compounds with similar structures that it is within a certain range. Because intermolecular forces, such as van der Waals forces and hydrogen bonds, work together to maintain its solid structure, in order to melt it, corresponding energy needs to be supplied to overcome these forces.
As for the boiling point, it is also closely related to the molecular structure. In the molecule of this compound, cyclopropyl, fluorophenyl and quinoline ring interact with structural units, resulting in complex intermolecular forces. In the process of heating, to make it gasify, not only need to overcome the attractive force between molecules, but also need to consider the interaction of various groups in the molecule. Therefore, its boiling point is also at a certain temperature, reflecting the energy required for the molecule to break free from the liquid phase.
In terms of solubility, because the molecule has a certain hydrophobicity. Cyclopropyl and fluorophenyl are non-polar groups, and the quinoline ring is also quite hydrophobic, only the carboxyl methyl ester part is slightly polar. Therefore, its solubility in water may be low, and water is a polar solvent, which is incompatible with the intermolecular forces of the compound. In organic solvents, such as common non-polar or weakly polar solvents such as chloroform and dichloromethane, the solubility may be higher. Due to the principle of "similar miscibility", the intermolecular forces between the solvent and the solute match, making it more easily miscible.
In addition, the density of the compound may be determined by the compact molecular structure and atomic weight distribution. Although there is no exact data, it can be inferred that its density is within a certain range according to the structure. In related research and applications, density is also an important parameter to consider its physical behavior.
What are the main uses of methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylate?
Methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylic acid ester is a crucial compound in the field of organic synthesis. It has a wide range of uses, first in the field of medicinal chemistry, and is often used as a key intermediate to create new drugs with specific biological activities. Drug developers can use ingenious modification and modification of its molecular structure to obtain innovative drugs with excellent efficacy and minimal side effects, opening up new paths for the treatment of various diseases.
Furthermore, in the field of materials science, it also shows potential application value. Due to its unique chemical structure and properties, it may participate in the preparation of functional materials with special optical and electrical properties, such as in advanced material systems such as organic Light Emitting Diodes (OLEDs) and sensors, injecting new vitality into the development of materials science.
In addition, in organic synthetic chemistry, as an important building block, it can use diverse chemical reactions to build more complex and novel organic molecules, greatly enrich the variety of organic compounds, promote organic synthetic chemistry to new heights, help scientists explore more unknown chemical fields, and lay a solid material foundation for the development of related disciplines.
What are the synthesis methods of methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylate?
This is a method for the synthesis of methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylic acid esters. The synthesis of this compound often follows the path of organic synthesis.
One method is to first couple a suitable aromatic halide, such as 4-fluorobromobenzene, with an active quinoline derivative, through a palladium-catalyzed coupling reaction to form a fluorophenyl-quinoline connection. Among them, the choice of palladium catalyst is very important, usually palladium acetate, triphenylphosphine palladium, etc., in the presence of suitable bases, such as potassium carbonate, sodium carbonate, etc., in organic solvents, such as toluene, dioxane, heating reaction, so that the aryl halogen and quinoline derivatives form a carbon-carbon bond.
Second, the introduction of cyclopropyl. Or by cyclopropyl halide, under the action of metal reagents, such as Grignard reagent made of magnesium, react with the intermediate obtained from the above reaction to connect the cyclopropyl group to the molecule. The preparation of Grignard reagent requires an anhydrous and oxygen-free environment to maintain its activity.
As for the carboxylic acid ester part, it can be obtained by esterification of the corresponding carboxylic acid. The carboxylic acid is esterified with methanol and an appropriate catalyst, such as concentrated sulfuric acid or p-toluenesulfonic acid, heated and azeotropic, to obtain the target methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylic acid ester. After the reaction, the product is often purified by extraction, column chromatography, etc., to obtain a pure target compound.
During the whole process of synthesis, it is necessary to pay attention to the control of reaction conditions, such as temperature, time, and the equivalent of reagents, etc., and the intermediates of each step of the reaction must be properly separated and identified to ensure that the synthesis is smooth and the quality and quantity of the product are guaranteed.
What are the precautions for methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylate during use?
Methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylic acid ester. When using this product, many matters need to be paid attention to.
Bear the brunt, and safety issues should not be underestimated. This product may be toxic and irritating. When exposed, it is necessary to wear suitable protective equipment, such as gloves, goggles and protective clothing, to prevent it from contacting the skin, eyes and respiratory tract. In case of inadvertent contact, rinse with plenty of water immediately and seek medical attention according to the specific situation.
In addition, its chemical properties need to be carefully considered. The compound exists in a specific chemical environment and may react with other substances. Before use, it is necessary to clarify its chemical properties and avoid contact with incompatible substances to prevent dangerous chemical reactions such as explosion and fire. When storing, also pay attention to environmental conditions, and place it in a dry, cool and well-ventilated place, away from fire sources and oxidants.
The operation process is also exquisite. It should be operated in a well-ventilated place to avoid the accumulation of steam. Use precise experimental equipment and strictly control the dosage and reaction conditions. If it involves heating, stirring, etc., follow standard experimental procedures and operate with caution to prevent accidents.
In addition, after use, it is essential to properly dispose of the remaining material and related waste. It must not be discarded at will. It should be treated harmlessly in accordance with local environmental protection regulations to prevent pollution to the environment. Only by paying full attention to the above precautions during the whole process of use can we ensure the safe and effective use of methyl 2-cyclopropyl-4- (4-fluorophenyl) quinoline-3-carboxylate.