Chemical Formula | C10H9FO3 |
Molecular Weight | 196.175 |
Name | (±)-[(R*,R*)and(R*,S*)]-6-fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran |
Chemical Formula | C11H9FO2 |
Molar Mass | 192.186 g/mol (approximate, calculated from formula) |
Chemical Formula | C10H9FO3 |
Molecular Weight | 196.175 g/mol |
Physical State | Solid (predicted) |
Boiling Point | 340.2±42.0 °C at 760 mmHg (predicted) |
Melting Point | 84 - 86 °C |
Density | 1.392±0.06 g/cm3 (predicted) |
Refractive Index | 1.578 (predicted) |
Flash Point | 159.5±27.9 °C (predicted) |
Logp | 1.21 (predicted) |
Solubility | Soluble in organic solvents like chloroform, dichloromethane |
Chemical Formula | C11H9FO3 |
Molecular Weight | 208.186 g/mol |
What is the chemical structure of (±) - [ (R *, R *) and (R *, S *) ] -6-fluoro-3, 4-dihydro-2-oxiranyl-2H-1-benzopyran?
Eh! To know the chemical structure of “(±)-[( R *, R *) and (R *, S *) ] -6-fluoro-3, 4-dihydro-2-oxiranyl-2H-1-benzopyran ", you need to analyze its name in detail. In this name," (±) "racemate, that is, containing equal amounts of enantiomers." 6-fluoro "shows that the 6th position of the benzopyran ring has fluorine atom substitution." 3,4-dihydro "Table 3 and 4 show the saturation state after double bond hydrogenation." 2-oxiranyl "Table 2 is connected with an ethylene oxide group.
benzopyran, which has the structure of benzene ring and pyran ring. Yusi compound, benzene ring and pyran ring are conjugated, fluorine is added at 6 positions, double bond hydrogenation at 3 and 4 positions, and ethylene oxide is connected at 2 positions. Ethylene oxide is a ternary cyclic ether with unique reactivity. This structure makes the compound have special physical and chemical properties, or show its functions in the fields of organic synthesis and medicinal chemistry. Its unique structure, the interaction of various groups, makes the compound complex and changeable in nature, providing many possibilities for chemical research and application.
What are the physical properties of (±) - [ (R *, R *) and (R *, S *) ] -6-fluoro-3, 4-dihydro-2-oxiranyl-2H-1-benzopyran?
(±) - [( R *, R *) and (R *, S *) ] -6-fluoro-3,4-dihydro-2-ethylene oxide-2H-1-benzopyran, its physical properties are as follows:
In appearance, it is usually a colorless to light yellow liquid or solid, which varies depending on the specific preparation and crystallization conditions. In terms of melting and boiling point, the melting point is about [X] ℃, and the boiling point is at [X] ℃/[X] mmHg. This melting point data, determined by precise experiments, is crucial in chemical research and industrial applications, and can help determine its phase state change and stability.
In terms of solubility, the substance exhibits good solubility in organic solvents such as dichloromethane, chloroform, and acetone. Due to the molecular structure and the formation of appropriate forces between organic solvent molecules, such as van der Waals force, hydrogen bond, etc. However, the solubility in water is very small, and it is difficult to form effective interactions due to the large difference between molecular polarity and water molecular polarity.
The density is about [X] g/cm ³, which reflects the mass per unit volume of the substance and is very important for its measurement and process design in practical applications. The refractive index also has a specific value, which is about [X]. This property is closely related to the distribution of electron clouds and molecular arrangement in the molecular structure, and can provide an important reference for identification and purity analysis.
The stability of this substance is good under certain conditions, but when exposed to high temperature, strong oxidants or specific catalysts, the structure of ethylene oxide and benzopyran may react, resulting in structural changes. Therefore, when storing, it should be placed in a cool, dry and well-ventilated place to avoid contact with the above substances.
These physical properties are of great significance for the study of its chemical reaction, separation and purification, preparation development and industrial production, and help chemical practitioners to deeply understand the properties of this substance and make good use of it.
What are the synthesis methods of (±) - [ (R *, R *) and (R *, S *) ] -6-fluoro-3, 4-dihydro-2-oxiranyl-2H-1-benzopyran?
The synthesis method of 6-fluoro-3,4-dihydro-2-ethylene oxide-2H-1-benzopyran is an important topic in the field of organic synthesis. There are several common paths to prepare this compound.
First, the benzopyran skeleton can be constructed by using fluorobenzene derivatives as starting materials through multi-step reactions, and then ethylene oxide groups can be introduced. First, a nucleophilic substitution reaction is used to connect a suitable substituent at a specific position of the fluorobenzene ring. This substituent needs to have activity suitable for subsequent reactions. Then, the core structure of benzopyran is established through cyclization. After the benzopyran skeleton is formed, the specific double bond is oxidized with suitable epoxidation reagents to introduce ethylene oxide groups. This process requires precise control of the reaction conditions to prevent side reactions from breeding.
Second, it can also start from ethylene oxide derivatives to react with benzopyran-related precursors. First, the ethylene oxide derivatives are properly modified so that their active check points can react smoothly with benzopyran precursors. Then, through ingeniously designed reaction conditions, the two can undergo condensation or addition reactions, and the molecular structure is gradually combined. The key to this path is to choose the appropriate reaction reagents and conditions to ensure the efficient and selective reaction.
Third, the strategy of transition metal catalysis can also be used. Transition metal complexes are used as catalysts to promote the reaction between substrates. By rational selection of transition metals and ligands, the activity and selectivity of the reaction can be precisely regulated. For example, palladium-catalyzed cross-coupling reactions are used to connect different fragments to form carbon-carbon bonds and carbon-hetero bonds of the target molecule. Then, the molecular structure is improved through subsequent reactions, and the required fluorine atoms and ethylene oxide groups are introduced.
All synthesis methods have their own advantages and disadvantages. Careful choices should be made according to the actual situation, such as the availability of raw materials, the ease of control of reaction conditions, and the purity requirements of the product.
What are the main uses of (±) - [ (R *, R *) and (R *, S *) ] -6-fluoro-3, 4-dihydro-2-oxiranyl-2H-1-benzopyran?
(±) - [ (R *, R *) and (R *, S *) ] -6-fluoro-3,4-dihydro-2-ethylene oxide-2H-1-benzopyran This substance has a wide range of uses. In the field of medicine, it is often a key intermediate. With its unique structure, it can participate in the synthesis of many drugs and help create new and efficient drugs to fight various diseases.
It also has extraordinary performance in the field of materials. Due to its own structure, it can optimize material properties. It can enhance material stability, flexibility, or improve its optical properties, contributing to the research and development of new materials.
In the path of scientific research and exploration, it is an important research object. Scientists can deepen their understanding of the laws of organic chemistry by studying its reaction mechanism and properties, and provide theoretical support and practical experience for the development of organic synthetic chemistry. And in chemical production, with its own characteristics, it can promote chemical process innovation, improve production efficiency, reduce production costs, and achieve better economic and environmental benefits. In short, this compound has important value and broad application prospects in many fields.
How safe is (±) - [ (R *, R *) and (R *, S *) ] -6-fluoro-3, 4-dihydro-2-oxiranyl-2H-1-benzopyran?
(±) - [( R *, R *) and (R *, S *) ] -6-fluoro-3,4-dihydro-2-ethylene oxide-2H-1-benzopyran This substance is related to safety and is quite important.
When looking at various things in the world, whether it is safe or not depends on its nature, its use, and the environment in which it is located. From the perspective of its structure, the combination of ethylene oxide and benzopyran gives it unique chemical properties. The activity of ethylene oxide is quite high, and it is easy to react with other things, or cause chain changes. On the safe side, there is a potential risk.
If it is in the production environment, when synthesizing this substance, the control of raw materials and reaction conditions is slightly poor, or the reaction is out of control, and the disaster of explosion and leakage is endangered, endangering the surrounding people and the environment. When storing it, care should also be taken. Factors such as temperature and humidity, light, etc. can affect its stability. If it is not stored properly, it may decompose itself, or react with the storage container, causing damage to the container and material leakage.
When it is used, if it is used in the field of medicine, although it may have therapeutic effect, its safety must be strictly verified. Due to the strong activity of ethylene oxide, or unintended effects on human cells, it is harmful to health. If it is used in industry, when mixed with other substances, it may be dangerous due to reactivity.
However, the matter of safety is not completely hopeless. If there are comprehensive strategies in all aspects of production, storage, and use, act in accordance with scientific laws and strict regulations, or control its risks. By studying its properties, knowing the laws of its reaction with other objects, and formulating protection and emergency measures according to this, the harm to people and the environment can be reduced and the safety can be ensured.