Chemical Formula | C12H11FO2 |
Molecular Weight | 206.21 |
Physical State | Solid (predicted) |
Boiling Point | Predicted value, around 322.7°C at 760 mmHg |
Melting Point | Predicted value, around 79 - 83°C |
Logp | 1.48 (predicted) |
Density | Predicted around 1.29 g/cm³ |
Solubility | Poorly soluble in water (predicted) |
Flash Point | Predicted around 149.0°C |
Refractive Index | Predicted around 1.567 |
Chemical Formula | C12H11FO2 |
Optical Activity | Optically active due to chiral centers |
Chiral Centers | Two chiral centers at positions 2 in both the benzopyran and oxirane moieties |
Functional Groups | Fluoro, oxirane, benzopyran |
Chemical Formula | C12H11FO2 |
Molecular Weight | 206.21 |
Iupac Name | (2R)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene |
Chemical Formula | C12H11FO2 |
Physical State | Solid (usually) |
Appearance | White to off - white powder |
Melting Point | N/A (specific value may need experimental determination) |
Boiling Point | N/A (specific value may need experimental determination) |
Solubility In Water | Low solubility in water |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Density | N/A (specific value may need experimental determination) |
Chirality | Contains chiral centers (2R configurations as indicated in the name) |
Uv Absorption | Absorbs in the ultraviolet region characteristic of benzopyran moiety |
Ir Active Bonds | Characteristic IR bands for C - F, C - O (oxirane and benzopyran), C = C, C - H |
What is the chemical structure of (2R) -6-fluoro-2- [ (2R) -oxiran-2-yl] -3,4-dihydro-2H-1-benzopyran
(2R) -6-fluoro-2- [ (2R) -ethylene oxide] -3,4-dihydro-2H-1-benzopyran, which is a kind of organic compound. Looking at its naming and disassembling according to the naming rules of organic chemistry, its structural characteristics can be known.
" (2R) -6-fluoro" is clearly shown at a specific position 6, with fluorine atoms attached, and the three-dimensional configuration at this position is R-type. " 2 - [ (2R) -ethylene oxide] ", indicating that an ethylene oxide group is connected at position 2, and the three-dimensional configuration of this ethylene oxide group is also of type R." 3,4-dihydro-2H-1-benzopyran ", revealing that its core framework is 2H-1-benzopyran, and hydrogenation occurs at positions 3 and 4, that is, this two-position changes from double bond to single bond.
To sum up, the chemical structure of this compound is 2H-1-benzopyran as the parent, with fluorine atom substitution at the 6th position, (2R) -ethylene oxide at the 2nd position, and dihydrogen at the 3rd and 4th positions. Its structure presents a unique spatial and atomic connection mode, laying the foundation for the research of organic chemistry and applications in related fields.
What are the physical properties of (2R) -6-fluoro-2- [ (2R) -oxiran-2-yl] -3, 4-dihydro-2H-1-benzopyran
(2R) -6-fluoro-2- [ (2R) -ethylene oxide] -3,4-dihydro-2H-1-benzopyran is also an organic compound. It has many physical properties and is related to the field of chemical research and application.
When it comes to appearance, this compound often takes a specific form. However, due to differences in preparation conditions and purity, or slightly different. Generally speaking, there are mostly colorless to slightly yellow liquids, which are clear in appearance and resemble clear springs. The texture is uniform and free of impurities.
In terms of melting point, due to the unique molecular structure, its melting point is relatively fixed. After rigorous experimental determination, it is roughly in a certain temperature range. The exact value of this temperature range is determined by the characteristics of intermolecular forces and chemical bonds. Just like the tenon-mortise structure, the interaction between each atom and the group creates the characteristic of its melting point.
Boiling point is also one of its important physical properties. Under specific pressure conditions, (2R) -6-fluoro-2 - [ (2R) -ethylene oxide] -3,4-dihydro-2H-1-benzopyran will reach the boiling point. The value of this boiling point is closely related to the size, shape and intermolecular forces of the molecule. Like a ship sailing on water, external pressure and the properties of the molecule together determine when it boils.
Solubility is another key property. In common organic solvents, such as ethanol, ether, etc., it exhibits a certain solubility. In ethanol, like fish getting water, it can be better dissolved to form a uniform solution. This solubility is due to the interaction between molecules and solvent molecules, such as hydrogen bonds, van der Waals forces, etc., just like the mutual attraction and cooperation between people.
Density is also a property that cannot be ignored. Its density reflects the compactness of molecules. After accurate measurement, its density value can be known. This value is of important guiding significance for related chemical operations, such as solution preparation, separation and purification, etc. It is like a nautical compass, guiding the direction of experiments.
(2R) -6-fluoro-2- [ (2R) -ethylene oxide] -3,4-dihydro-2H-1-benzopyran's many physical properties are like keys, opening the door for its research and application in the field of chemistry, helping researchers to explore its mysteries in depth, and playing an important role in organic synthesis, drug development, etc.
What are the preparation methods of (2R) -6-fluoro-2- [ (2R) -oxiran-2-yl] -3,4-dihydro-2H-1-benzopyran
The methods for preparing (2R) -6-fluoro-2- [ (2R) -ethylene oxide] -3,4-dihydro-2H-1-benzopyran are various and ingenious.
One method can also be started from a suitable benzopyran precursor. First, take a fluorine-containing phenol derivative, and use specific reagents and conditions to make it undergo a nucleophilic substitution reaction with an allyl halide to form an allyl ether structure. In this step, attention should be paid to the temperature of the reaction, the type and dosage of bases, because they all affect the yield and selectivity of the reaction. After obtaining the allyl ether, after Claisen rearrangement, the allyl can be migrated to the ortho position to construct the basic skeleton of benzopyran. When rearranging, the polarity of the solvent, the way and degree of heating are all key. Subsequently, through the epoxidation reaction, the double bond is epoxidized with suitable reagents such as peroxide under suitable catalytic conditions, and ethylene oxide is introduced. In this step, the activity of the peroxide and the choice of catalyst affect the configuration and purity of the epoxy product.
The second method can be started from another type of benzodihydropyran containing suitable substituents. First, the specific position on the benzodihydropyran ring is fluorinated, and the electrophilic fluorination reagent can be selected. Under the guidance of the precise positioning group, the selective fluorination of 6-position can be achieved. After fluorination, by modifying the side chain, a suitable halogenated alcohol is used as the raw material. Under the action of alkali, intracellular nucleophilic substitution occurs, and the ring closure forms ethylene oxide groups. In this process, the structure of the halogenated alcohol, the strength of the base and the reaction time need to be carefully regulated.
There are also natural products or compounds with similar skeletons as the starting materials. After a series of chemical modifications, such as functional group conversion, selective protection and deprotection, the structure of the target molecule is gradually constructed. This approach requires in-depth understanding of the source and properties of the starting materials, and each step of the reaction needs to be carefully designed according to the characteristics of the raw materials. In conclusion, the methods for preparing (2R) -6-fluoro-2- [ (2R) -ethylene oxide] -3,4-dihydro-2H-1-benzopyran are diverse, and the advantages and disadvantages of each method should be carefully selected and optimized according to actual needs and conditions.
(2R) -6-fluoro-2- [ (2R) -oxiran-2-yl] -3, 4-dihydro-2H-1-benzopyran in which fields
(2R) -6-fluoro-2- [ (2R) -ethylene oxide] -3,4-dihydro-2H-1-benzopyran has applications in the fields of medicine, materials science and organic synthesis.
In the field of medicine, due to its unique chemical structure, it has potential biological activity. Or it can be used as a lead compound for drug developers to explore its interaction with biological targets, and then develop new therapeutic drugs. If its inhibition or activation of specific enzymes is studied, it is hoped to create specific therapeutic drugs for related diseases, such as certain inflammatory diseases or tumor diseases. < Br >
In the field of materials science, it can participate in the synthesis of polymer materials. By polymerizing with other monomers, the material is endowed with special properties, such as improving the optical properties of the material, so that the resulting material has specific light absorption or emission characteristics, which can be used in optical materials, such as optical sensors or luminescent materials; or to enhance the mechanical properties of materials, improve the strength and toughness of materials, and is used in engineering plastics and other fields.
In the field of organic synthesis, it is an important intermediate in organic synthesis. With the structure of ethylene oxide and benzopyran, more complex organic molecular structures can be constructed through various organic reactions, such as nucleophilic substitution, ring-opening reactions, etc. Organic synthetic chemists can use this compound to synthesize organic compounds with specific functions or structures, providing a key foundation for the development of organic synthetic chemistry, and promoting the total synthesis of complex natural products and the creation of new organic functional molecules.
What is the market prospect of (2R) -6-fluoro-2- [ (2R) -oxiran-2-yl] -3, 4-dihydro-2H-1-benzopyran
Nowadays, there are (2R) -6-fluoro-2- [ (2R) -ethylene oxide] -3,4-dihydro-2H-1-benzopyran, and the market prospect of this substance is related to many aspects.
Looking at its chemical structure, the unique ethylene oxide group coexists with benzopyran structure, or endows it with specific physical and chemical properties, which may be used in the field of pharmaceutical research and development, or has potential applications. In drug synthesis, its unique structure may be used as a key intermediate, laying the foundation for the creation of new drugs. Today's pharmaceutical industry has a strong demand for special new drugs. If it can be used to develop drugs with unique pharmacological activities, it will be able to gain a place in the market. < Br >
In the field of materials science, it may exhibit unique properties due to its structural characteristics. For example, in the modification of polymer materials, the introduction of this structure may improve the thermal stability and mechanical properties of the material. With the continuous development of materials science, the demand for new materials with excellent performance is increasing day by day. If there is a breakthrough in this, its market prospect is quite promising.
However, it also faces challenges. The difficulty and high cost of synthesizing this substance may limit its large-scale production and application. And the market competition is fierce, and it is necessary to deal with the competition of similar and alternative products.
However, in general, if the synthesis problem can be overcome, the cost can be reduced, and its application potential can be effectively tapped, it may open up a broad market space in the fields of medicine and materials, and the prospects are promising.