methyl 7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

The concept of "methyl + 7- (benzyloxy) -6-butyl-4-oxo-1, 4-dihydroquinoline-3-carboxylate" is the English name of an organic chemical substance. To know its chemical structure, it is necessary to analyze the information contained in this name in detail.
"methyl" indicates that it contains methyl, which is a common group in organic chemistry, such as "-CH <." Carboxylate "epicarboxylate or carboxylate, where" methyl "is combined, when it is a carboxylic acid methyl ester structure, that is, -COOCH
" 7- (benzyloxy) "means that there is a benzyloxy group attached to the 7th carbon atom of the main structure, and the benzyloxy group structure is -OCH ² Ph, where Ph represents the benzene ring. "6-butyl" refers to the sixth carbon atom with butyl, butyl has isomers such as n-butyl (-CH ³ CH ³ CH ³ CH ³) and isobutyl, and so on. According to this name, it may be n-butyl.
"4-oxo-1, 4-dihydroquinoline-3-" part, indicating that the core structure of this substance is 1,4-dihydroquinoline, and there is a carbonyl group (C = O) on the fourth carbon atom, and the third carbon atom participates in the formation of the carboxylate part.
In general, this compound takes 1,4-dihydroquinoline as the core skeleton, and is connected to methyl carboxylate at the 3rd position, butyl at the 6th position, and benzyloxy at the 7th position. Its chemical structure is roughly the same, and it is one of the fine structures of organic chemistry, which may be of great significance in the fields of organic synthesis and medicinal chemistry.

Methyl 7- (benzyloxy) -6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ester, this is an organic compound. Looking at its physical properties, it may be in a solid state at room temperature and pressure. Because its molecular structure contains many cyclic and long chain structures, the intermolecular force is quite strong.
Its melting point may be relatively high due to the complexity of the structure. Due to the conjugated system of benzene ring and quinoline ring in the molecule, it may exhibit absorption characteristics under specific wavelengths of ultraviolet light. < Br >
When it comes to solubility, the polar ester group and the non-polar benzyl group, butyl group and other groups may have a certain solubility in organic solvents, such as ethanol, acetone, chloroform, etc. Polar organic solvents can form hydrogen bonds with ester groups, and the non-polar part is compatible with the non-polar part of the organic solvent. However, in water, because of its strong overall non-polarity, the solubility may be limited.
Its density is slightly heavier than that of water due to its tight molecular structure and larger atomic weight. Appearance may be white to light yellow powder or crystalline, which is due to the orderly arrangement of molecular structures, light scattering and absorption characteristics. And because its structure contains a variety of functional groups, or has a certain chemical stability, under specific conditions, such as strong acids, strong bases, high temperatures, etc., functional groups may react, causing their physical properties to change.

Methyl-7- (benzyloxy) -6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ester, an organic compound. It is widely used in the field of medicinal chemistry and is often the key intermediate for the synthesis of specific drugs. In medicinal chemistry, after structural modification and modification of the compound, new drug molecules with specific biological activities and pharmacological properties can be obtained, or have antibacterial, anti-inflammatory, anti-tumor and other effects.
In the field of organic synthesis, it can participate in a variety of organic reactions, such as nucleophilic substitution, redox, etc., to build more complex organic molecular structures, providing an important cornerstone for the synthesis of natural products and functional materials. For example, in the total synthesis of some natural products, with its unique structure and reactivity, the construction of specific structural units of the target product can be realized, and the goal of total synthesis can be achieved.
At the same time, in the field of materials science, if it is properly modified and functionalized, it can endow materials with specific optical, electrical and other properties, and be applied to the research and development of new functional materials. In short, this compound plays an important role in chemical synthesis and related application fields, providing a key material basis and reaction starting point for many research and applications.

There are many ways to synthesize methyl 7- (benzyloxy) -6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid esters.
First, 4-hydroxyquinoline derivatives can be obtained by acid-catalyzed condensation reaction of aniline and methyl acetoacetate containing appropriate substituents. This reaction requires moderate temperature control, usually under mild heating conditions, so that the reactants can be fully used to obtain intermediate products. Then, in the presence of a base, a benzyl halide, such as benzyl bromide or benzyl chloride, undergoes a nucleophilic substitution reaction with the above-mentioned intermediate products. The base can be selected from potassium carbonate, sodium carbonate, etc., and carried out in a suitable organic solvent, such as N, N-dimethylformamide (DMF) or acetone, so as to introduce benzoxy at the 7 position to obtain the final target product.
Second, a suitable quinoline-4-one derivative can also be used as the starting material. First, it is butylated at the 6 position, which can be achieved by butyl halide catalyzed by alkali. Bases such as sodium hydride, potassium tert-butoxide, etc., are used in anhydrous organic solvents to promote nucleophilic substitution Subsequently, the benzyloxy group is introduced at the 7th position, and the operation is similar to the above nucleophilic substitution step. Finally, the carboxyl group is esterified at the 3rd position, and the methanol can be reacted with a suitable dehydrating agent, such as concentrated sulfuric acid or dicyclohexylcarbodiimide (DCC), etc., under mild conditions to form an ester of the carboxyl group with methanol to obtain this methyl 7 - (benzyloxy) -6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ester.
Furthermore, the quinoline ring system can be constructed by multi-step reaction with anisole derivatives and butenolide as starting materials. First, the anisole derivative reacts with butenolactone under specific conditions to construct an intermediate with a partial structure. After that, through a series of reactions, such as oxidation, cyclization, substitution and other steps, the required substituents are gradually introduced to finally complete the synthesis of the target product. Each step requires precise regulation of reaction conditions, such as temperature, reactant ratio, catalyst type and dosage, etc., to obtain methyl 7 - (benzyloxy) -6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate with high yield and purity.

The chemical reactions related to methyl 7- (benzyloxy) -6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid esters are quite rich.
First, hydrolysis reaction: This compound encounters water, and the ester group can be hydrolyzed under the catalysis of acid or base. In an acidic environment, the corresponding carboxylic acids and alcohols are slowly hydrolyzed; in an alkaline environment, the hydrolysis rate is faster, and carboxylic salts and alcohols are formed. This reaction is like cooking in a kettle, and different products are obtained depending on the environment.
Second, substitution reaction: benzyloxy moiety, the hydrogen atom on the benzyl group can be replaced by other groups under specific reagents and conditions. For example, when nucleophiles attack, nucleophilic substitution occurs, just like exchanging new things for old things. And the 6-butyl part, the hydrogen atom on the butyl group can also participate in the substitution reaction in the presence of a free radical initiator, just like transformation decoration.
Third, reduction reaction: 4-oxo carbonyl can be reduced. With suitable reducing agents, such as sodium borohydride, lithium aluminum hydride, etc., carbonyl can be reduced to hydroxyl groups, which greatly changes the molecular structure and properties, just like phoenix nirvana.
Fourth, cyclization reaction: between different groups in the molecule, cyclization can occur under suitable conditions. For example, certain positions on the quinoline ring interact with the side chain group to form a new ring structure, which seems to weave the scattered matter into a delicate ring chain.
Fifth, the debenzylation reaction: Under the action of specific reagents, such as trifluoroacetic acid, the benzoxy group can be broken off to remove the benzyl group, resulting in a 7-hydroxyl product, which is like a rope to remove the binding. These reactions, either changing their structure or changing their properties, are of great significance in the process of organic synthesis.