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

The chemical structure of (3S) -9,10-dihydro-2,3-dihydroxy-3-methyl-7-oxo-7H-dihydro [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester is a complex topic in organic chemistry.

The structure of this compound needs to be analyzed according to the system nomenclature. " (3S) " indicates that the three-dimensional configuration of carbon in the molecule is S-type, which is determined according to the Cahn-Ingold-Prelog rule, which is related to the priority and spatial arrangement of atoms or groups. "9,10-dihydro" means that the double bond hydrogenation at positions 9 and 10 changes from unsaturated to saturated bond. " 2,3-Dihydroxyl ", indicating that there is a hydroxyl (-OH) group attached to each carbon atom at the 2nd and 3rd positions. The hydroxyl group is polar and has a great impact on the physical and chemical properties of the compound, such as solubility and reactivity." 3-methyl "refers to the presence of methyl (-CH 🥰) attached to the third carbon, and the introduction of methyl will change the spatial hindrance and electron cloud distribution of the molecule." 7-oxo ", that is, the 7-position carbon atom is connected to the oxygen atom by a double bond to form a carbonyl group (C = O). The carbonyl group is a strong electron-absorbing group, which affects the electron cloud density and reactivity of the surrounding atoms." 7H- to its union [1,2,3 - de] -1,4 - benzoxazine ", describes the fused ring structure, which is formed by fusing the benzene ring and the oxazine ring, and the atomic positions are determined according to specific numbering rules. This fused ring structure gives the compound unique stability and reaction characteristics." 6-ethyl carboxylate "means that the 6-position carbon is connected to the carboxylic acid ethyl ester group (-COOCH -2 CH 🥰), which gives the compound the typical properties of esters, such as hydrolysis and alcoholysis.

From a comprehensive perspective, the chemical structure of (3S) -9,10-dihydro-2,3-dihydroxy-3-methyl-7-oxo-7H-to [1,2,3-de] -1,4-benzoxazine-6-carboxylic acid ethyl ester is composed of a specific three-dimensional configuration, a variety of functional groups and a fused ring system. The interaction of each part determines its unique properties and potential applications in organic synthesis, pharmaceutical chemistry and other fields.

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-dihydro [1,2,3-de] -1,4-benzoxazine-6-carboxylic acid ethyl ester, which is an organic compound. Its physical properties are as follows:
- ** Appearance properties **: Usually white to off-white crystalline powder. This form makes the substance appear fine and regular granular in appearance. Under light exposure, it may have a certain luster due to the crystal structure, giving a sense of purity.
- ** Melting point **: Its melting point is within a specific range, such as 150 ° C - 155 ° C. Melting point is one of the important physical properties of substances. At this temperature, the compound changes from solid state to liquid state. This property is of key guiding significance for its synthesis, purification and temperature control during the preparation process.
- ** Solubility **: In organic solvents, such as ethanol, acetone, etc., it has a certain solubility. In ethanol, it can be partially dissolved to form a uniform solution. This property makes it possible to disperse and participate in the reaction or play a role in chemical reactions or preparations using ethanol as a solvent. In water, the solubility is relatively poor, with only a very small amount of solubility. This difference in solubility helps to select the appropriate solvent system in the separation, purification and preparation process. < Br > - ** Density **: Has a certain density, about 1.3 - 1.4 g/cm ³. Density reflects the mass per unit volume of a substance. During storage, transportation, and mixing with other substances, this density data is important for calculating volume, mass relationships, and judging its distribution in mixtures.
- ** Stability **: Under normal temperature and pressure, the substance is relatively stable. However, under certain conditions such as high temperature, high humidity, or light, its stability will be affected. In high-temperature environments, decomposition reactions may occur, leading to changes in its chemical structure, which in turn affect its chemical properties and efficacy; in high-humidity environments, moisture may be absorbed, deliquescence may occur, which may have adverse effects on its purity and quality; and light may trigger photochemical reactions, causing material to deteriorate.

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-dihydro-3-methyl-7-oxo-7H-to-its [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester, this compound has a wide range of uses. In the field of medicinal chemistry, it is often used as a key intermediate to participate in the construction of complex drug molecular structures with specific biological activities. Due to its unique chemical structure, it can be modified to fit specific targets, laying the foundation for the development of new therapeutic drugs, such as potential applications in the development of drugs for neurological diseases or cardiovascular diseases.

In the field of materials science, this compound can be chemically modified into polymer systems to impart new properties to materials. Such as improving the thermal stability and mechanical properties of materials, it is expected to be used to make high-performance engineering plastics to meet the strict requirements of aerospace, automobile manufacturing and other industries.

In the field of organic synthesis, it is an important starting material for the synthesis of other complex organic compounds. With the help of various organic reactions, many compounds with different functional groups and structures can be derived, expanding the research boundaries of organic synthesis chemistry, and providing possibilities for the creation of new organic materials and compounds.

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

To prepare (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, there are many methods, each has its advantages and disadvantages. The following is detailed by Jun.

First, natural products are used as starting materials. Find suitable natural products and modify the structure through multi-step reactions. The advantage of this approach is that the starting material has a specific three-dimensional structure, which can reduce chiral synthesis steps and improve the optical purity of the target product. However, the disadvantages are also obvious. The source of natural raw materials may be limited, the extraction and purification are complicated, and the cost is quite high.

Second, chemical synthesis method. Using simple compounds as the starting materials, the target molecular structure is constructed through multi-step organic reaction. When constructing chiral centers, chiral catalysts or chiral aids can be used to induce chiral formation. The advantages of this method are that raw materials are easy to obtain, reaction conditions are controllable, and large-scale production can be carried out. However, it is necessary to precisely design the reaction route and optimize the reaction conditions to improve the yield and selectivity.

The starting materials are selected to contain suitable functional group compounds, such as those with benzene ring, hydroxyl group, carbonyl group and other structures. After hydroxyl protection, nucleophilic substitution, cyclization and other reactions, the target molecular skel In the key step, a chiral source or a chiral catalyst is used to introduce the chiral center to ensure the stereochemical purity of the product.

After each step of reaction, the product needs to be purified by chromatography, crystallization, etc., to detect the purity and structure. After the synthesis of the key intermediate is completed, the final cyclization, deprotection and other reactions, the target product (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. The method of

synthesis needs to weigh the factors such as raw material cost, reaction difficulty, yield, purity requirements, etc. according to the actual situation, and choose the optimal route to obtain this product efficiently.

What are the relevant safety precautions for (3S) -9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido [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 [1,2,3-de] -1,4-benzoxazine-6-carboxylate ethyl ester, this is a complex organic compound, and there are many safety precautions when using it.

When handling this product, it must be carried out in a well-ventilated environment. Because of its specific chemical activity, or it may react with certain components in the air, good ventilation can prevent the accumulation of harmful gases. If the ventilation is poor, harmful gases may cause dizziness, nausea, and even serious respiratory diseases in the operator.

When exposed to this product, it needs to be properly prepared as protective equipment. It should be worn with protective clothing to prevent compounds from contaminating the skin and avoid skin allergies, burns, etc. Also wear protective gloves and choose materials with good chemical resistance, such as nitrile gloves, to ensure effective hand protection. Eye protection is indispensable. Wear goggles to prevent compounds from splashing into the eyes, damaging eye tissue, and causing vision damage.

The operation process should be strictly followed by the standard process. Weighing, mixing and other steps, precise control of the dosage and reaction conditions. Due to a slight deviation in the reaction conditions, or the reaction may be out of control, causing danger. When heating the reaction, precisely control the temperature and time to prevent serious accidents such as overheating and explosion.

Store this material with caution. It should be stored in a cool, dry place, away from fire sources and oxidants. Because it may be flammable or react violently with oxidants, improper storage can easily cause fire and explosion. Storage containers must be well sealed to prevent compounds from absorbing moisture and volatilizing, causing quality changes and potential safety hazards.

Handle with care when handling to avoid container collision and damage. Once the container is damaged, the compound leaks, or pollutes the environment, threatening the safety of personnel. In case of accidental leakage, emergency procedures should be followed as soon as possible, evacuate personnel, seal the scene, and clean up by professionals to prevent the expansion of hazards.