6,7-difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid, ethyl ester

This is a problem of structural analysis of organic compounds. The naming of this compound is complicated, and its structural characteristics are disassembled according to this naming:
"6,7-diene-1-methyl-4-oxo-1H, 4H - [1,3] thiazolo [3,2-a] pyran-3-carboxylate ethyl ester".
1. ** Parent nucleus structure **:
- "[1,3] thiazolo [3,2-a] pyran" is the parent nucleus. The thiazole ring is a five-membered heterocycle containing sulfur and nitrogen, in which sulfur and nitrogen are at the 1,3 position. The thiazole ring is fused with the pyran ring, which is an oxygen-containing hexamembered heterocyclic ring. The fused method of the two is that the 3 position of the thiazole ring is connected with the 2 position of the pyran ring to form a specific fused ring system.
- "1H, 4H" indicates that the fused ring system has hydrogen atoms at the 1 and 4 positions.
2. ** Substituent situation **:
- "6,7-diene" refers to the existence of carbon-carbon double bonds at the 6 and 7 positions of the parent nucleus pyran ring, which gives the compound unsaturation. < Br > - "1-methyl" means that the 1-position is connected with methyl ($- CH_3 $), which changes the molecular spatial structure and electron cloud distribution.
- "4-oxo" means that the 4-position is carbonyl ($C = O $), the carbonyl group is polar and has a significant impact on the chemical properties and reactivity of the compound, such as nucleophilic addition reactions.
- "Ethyl 3-carboxylate" indicates that the 3-position is connected with ethyl carboxylate ($- COOCH_2CH_3 $) group, which affects the solubility, stability and reactivity of the compound. In summary, the structure of the compound is composed of a specific fused ring parent nucleus and multiple substituents, and the interaction of each part determines its unique chemical properties and reactivity.

6,7-Diene-1-methyl-4-oxo-1H, 4H - [1,3] thiazo [3,2-a] pyran-3-carboxylic acid ethyl ester, this is an organic compound. Its physical properties are as follows:
In normal condition, it is mostly white to light yellow crystalline powder, fine and uniform, or under light, it has a faint luster. This appearance characteristic is related to the arrangement of molecules and crystal structure. In its microstructure, the molecules are arranged in an orderly manner, giving macroscopic crystalline morphology.
Smell it, or have a slightly special smell, but it is not pungent and foul, but is relatively weak and unique. This smell originates from the volatilization of specific functional groups within the molecular structure. Functional groups such as carboxyl groups and thiazide rings have this unique smell due to their chemical activity and volatility.
When it comes to solubility, it is slightly soluble in water. Although carboxyl groups can form hydrogen bonds with water in its molecular structure, hydrophobic groups such as diene and thiazide rings account for a large proportion, limiting the overall water solubility. However, it has good solubility in common organic solvents such as ethanol, acetone, and dichloromethane. Because organic solvent molecules can interact with the compound molecules through van der Waals forces, hydrogen bonds, etc., to promote dissolution. The melting point of
is about a certain temperature range, which is an important physical constant of the compound. When heated to this temperature range, the molecule obtains enough energy to overcome the lattice energy, the lattice structure disintegrates, and the solid state is converted to a liquid state. The exact melting point depends on the intermolecular force, crystal purity, etc. The higher the purity, the closer the melting point approaches the theoretical value. The density of
is also a specific value, reflecting the mass of the substance per unit volume. This value is related to the molecular mass and the degree of compaction between molecules. The molecular structure of the compound determines the way it is packed in the solid state, which in turn affects the density. The above physical properties of
are of great significance for its application in chemical synthesis, drug development and other fields. If the solubility determines the applicability in different reaction systems, the melting point can be used to judge the purity, providing a basis for the rational use of this compound by researchers.

To prepare 6,7-diene-1-methyl-4-oxo-1H, 4H-[ 1,3] -azino [3,2-a] pyran-3-carboxylic acid ethyl ester, there are many methods, which are selected to be described here.
First, it can be obtained through a multi-step reaction from the starting material. First, a specific alkene compound is taken, and under suitable catalyst and reaction conditions, it undergoes a substitution reaction with a methyl-containing reagent to introduce a methyl group. Subsequently, the reaction product is oxidized with an oxygen-containing reagent at a specific temperature and pressure to construct a 4-oxo structure. Then, the cyclization reaction occurs in the molecule by using the cyclization reagent to form the cyclic structure of [1,3] -azino [3,2-a] pyran. Finally, through the esterification reaction, the carboxylic acid is converted into the form of ethyl ester to obtain the target product.
Second, the route can also be designed by reverse synthesis analysis. Starting from the target product 6,7-diene-1-methyl-4-oxo-1H, 4H - [1,3] -azino [3,2-a] pyran-3-carboxylic acid ethyl ester, it is reversely disassembled into several simple intermediates. First, consider cutting the carboxylic acid ethyl ester bond and inversely deduce the corresponding carboxylic acid and ethanol. Afterwards, reverse analysis of the pyrane ring and the perazine ring was carried out, and the intermediates and reaction steps that could construct the ring structure were designed. For example, the pyrane ring can be constructed by the condensation reaction of enol ether and aldehyde or ketone under acidic or basic catalysis, and then the perazine ring structure is introduced through subsequent reactions, and the substituents can be adjusted at the same time, and finally the synthesis of the target product is realized.
Third, the bionic synthesis strategy can also be adopted. Drawing on the principles of relevant biosynthetic pathways in nature, the reaction mechanism catalyzed by enzymes in organisms can be simulated. In order to obtain the synthesis of 6,7-diene-1-methyl-4-oxo-1H, 4H-[ 1,3] -azino [3,2-a] pyran-3-ethyl carboxylate, a suitable natural product or similar structure was found as a starting point, and the reaction steps in vivo were simulated under mild chemical reaction conditions.

6,7-Diene-1-methyl-4-oxo-1H, 4H - [1,3] thiazo [3,2-a] pyran-3-carboxylic acid ethyl ester, this is an organic compound. Its uses are quite extensive, and it can be used as a key intermediate in the field of organic synthesis.
In the field of pharmaceutical chemistry, its structure may have unique biological activities. After reasonable modification and modification, new drugs may be developed. Due to the specific atomic arrangement and functional groups of this compound, it may interact with specific targets in organisms, and then exhibit pharmacological activities such as antibacterial, anti-inflammatory, and anti-tumor.
It may also have potential uses in materials science. Its special structure may endow materials with specific properties, such as optical and electrical properties. By compounding or modifying with other materials, new materials with excellent properties may be prepared to meet the needs of different fields.
In addition, in the total synthesis of natural products, or as an important synthetic block. With its unique structure, it can help to construct more complex molecular structures of natural products, providing a powerful tool for the study of natural product chemistry. From this point of view, 6,7-diene-1-methyl-4-oxo-1H, 4H - [1,3] thiazo [3,2-a] pyran-3-carboxylate ethyl ester has important application value in many fields and is worthy of further investigation and development.

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