What is the chemical structure of (3S) -9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyridino [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester

(3S) - 9,10 - dihydro - 2,3 - dihydroxy - 3 - methyl - 7 - oxo - 7H - to its union [1,2,3 - de] - 1,4 - benzoxazine - 6 - ethyl carboxylate is an organic compound. The structure of this compound contains a chiral center of a specific spatial configuration, that is, the (3S) configuration, which determines its specific performance in chemical reactions and biological activities.

Its core structure is 1,4 - benzoxazine, which is fused with [1,2,3 - de]. At positions 9,10, the double bond is hydrogenated to form a single bond, that is, a 9,10-dihydro structure. Positions 2 and 3 contain a dihydroxy group, which enables the compound to participate in many nucleophilic reactions and also affects its solubility. Position 3 contains a methyl group. Although it is only a simple alkyl group, it has an impact on the overall properties of the molecule due to steric resistance and electronic effects. Position 7 is an oxygen group, that is, a carbonyl group. This functional group is chemically active and can undergo nucleophilic addition and other reactions. Ethyl carboxylate attached to position 6 contains not only the characteristics of carboxyl derivatives, but also the presence of alkoxy groups in the ester group affects the molecular polarity and reactivity.

The interaction of various parts in this structure endows the compound with unique physical and chemical properties, which may have potential applications in the fields of organic synthesis, medicinal chemistry, etc., or as an intermediate for the synthesis of more complex compounds with specific biological activities.

What are the physical properties of (3S) -9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyridino [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester

(3S) - 9,10 - dihydro - 2,3 - dihydroxy - 3 - methyl - 7 - oxo - 7H - to its union [1,2,3 - de] - 1,4 - benzoxazine - 6 - ethyl carboxylate is an organic compound. This compound has specific physical properties.

In terms of its properties, it may be a solid under normal conditions. Due to the presence of multiple polar groups, hydroxyl groups, carboxyl ethyl esters, etc., the intermolecular force is strong, which prompts it to exist in a solid state under normal conditions.

On the melting point, in view of the intramolecular hydrogen bond and van der Waals force, the melting point may be relatively high. Intermolecular polar groups interact, requiring more energy to break the lattice structure to make it melt.

In terms of solubility, because of its polar groups, it may have a certain solubility in polar solvents such as methanol, ethanol, water, etc. Hydroxy and carboxyethyl esters can form hydrogen bonds with polar solvents to improve dissolution. However, the molecule contains a large benzoxazine cyclic structure and some non-polar hydrocarbon groups, and the solubility in non-polar solvents such as n-hexane and toluene may be limited.

Density or is affected by the compactness of the molecular structure and atomic weight. The molecular structure is compact, the atomic weight is relatively large, and the density may be high.

In addition, the compound contains conjugated systems, such as benzene ring and oxazine ring part, which may absorb at specific wavelengths of light and can be identified by spectral analysis.

What is the use of (3S) -9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyridino [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester

(3S) -9,10-dihydro-2,3-dihydroxy-3-methyl-7-oxo-7H-to-it [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester is an organic compound. This compound has applications in organic synthesis, medicinal chemistry and other fields.

In the field of organic synthesis, it is often used as a key intermediate. With its unique structure, it can participate in a variety of chemical reactions, such as nucleophilic substitution, oxidation and reduction, etc., to build more complex organic molecular structures and assist in the synthesis of organic compounds with specific physiological activities or functions.

In the field of medicinal chemistry, because its structure contains multiple modifiable check points, researchers can optimize its structure by chemical modification, and then explore its biological activity and pharmacological effects. It may be used as a potential lead compound, and after in-depth research and development, it is expected to become a new type of drug for the treatment of specific diseases. For example, the hydroxyl groups, carboxyl ethyl esters and other functional groups it contains can interact with targets in vivo, such as biological macromolecules such as proteins and enzymes, thus demonstrating anti-inflammatory, anti-tumor, antibacterial and other pharmacological activities, providing new directions and opportunities for drug development.

What are the synthesis methods of (3S) -9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyridino [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester

The synthesis method of (3S) -9,10-dihydro-2,3-dioxo-3-methyl-7-oxo-7H-pyrroso [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester is described in the ancient saying as follows:

To obtain (3S) -9,10-dihydro-2,3-dioxo-3-methyl-7-oxo-7H-pyrroso [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester, there are various methods. First, it can be obtained from suitable starting materials according to the usual method of organic synthesis through several steps. < Br >
First take a specific benzoxazine derivative, under suitable reaction conditions, catalyze with a catalyst, react with a reagent containing methyl, and introduce methyl to obtain an intermediate. This step requires careful selection of the catalyst and reaction temperature and time to ensure the selectivity and yield of the reaction.

times, the intermediate is interacted with a dihydro-dioxo reagent, and the reaction conditions are controlled in an appropriate solvent, so that a specific cyclization reaction occurs, and a pyrrolido ring system is constructed to obtain another intermediate. The solvent selection and the proportion of the reactants in this step are all key, which are related to the purity and structural correctness of the product.

Then, the intermediate is oxidized, the desired carbonyl group is introduced, and a suitable oxidizing agent can be selected to react under mild conditions to achieve the desired oxidation state. This oxidation step needs to be carefully regulated to prevent excessive oxidation or side reactions.

Finally, it is reacted with ethyl formate reagent under specific conditions to achieve esterification to obtain the target product (3S) -9,10-dihydro-2,3-dioxo-3-methyl-7-oxo-7H-pyrrolido [1,2,3-de] -1,4-benzoxazine-6-carboxylate. After each step of the reaction, it needs to be separated and purified, such as column chromatography, recrystallization, etc., to remove impurities and obtain a pure product. The conditions of each step of the reaction and the selection of reagents need to be carefully determined according to the characteristics of the reactants and the structure of the target product, so that the desired compounds can be synthesized efficiently and accurately.

What are the related chemical reactions of (3S) -9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyridino [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester

(3S) - 9,10 - dihydro - 2,3 - dihydro - 3 - methyl - 7 - oxo - 7H - cyclopento [1,2,3 - de] - 1,4 - benzodiazepine - 6 - ethyl carboxylate related chemical reactions, in the context of ancient books such as "Tiangong Kaiwu", it can be said:

The chemical changes of this thing are like the symmetry of yin and yang between heaven and earth, and the wonders of creation. ( 3S) - 9,10 - dihydro - 2,3 - dihydro - 3 - methyl - 7 - oxo - 7H - cyclopento [1,2,3 - de] - 1,4 - benzodiazepine - 6 - carboxylic acid ethyl ester, its structure is exquisite, it seems to be carved by nature.

In the process of organic synthesis, there may be a reaction of hydrogenation. This reaction is like the warm winter sun melting ice and snow, so that the structure of 9, 10 positions of dihydrogen and 2, 3 positions of dihydrogen in the molecule, under specific conditions, the blessing of hydrogen atoms, such as withered wood meeting spring, the structure is gradually changed. And 3-methyl, like the pearl of the embellishment, although small, it affects the temperament of molecules.

The structure of 7-oxygen generation is just like the hub of chemical reactions. In case of reducing agent, it is like the reversal of yin and yang, and the oxygen generation may be reduced. The distribution of the surrounding electron clouds changes, which affects the whole body, causing the chemical activity and reaction path of the whole molecule to be different.

The cyclopentyl [1,2,3-de] -1,4-benzodiazepine ring structure is as stable as a rock, but it hides a mystery. Under acid-base catalysis and other conditions, the opening and closing of the ring, the disconnection of the bond, such as the change of the chess game, or the formation of new derivatives.

As for ethyl 6-carboxylate, its hydrolysis reaction is like a spring rain moisturizing the product, the ester bond is broken, and the product of carboxylic acid and alcohol is obtained. In this process, suitable temperature and pH are required, such as farmers farming, grasping the season and soil strength, in order to harvest the expected results.

All these chemical reactions follow the laws of nature. Although it is difficult for the naked eye to observe the microscopic changes, its subtlety is like an invisible silk thread between heaven and earth, weaving a brilliant picture of the chemical world.