Chemical Formula | C21H20F2O2S |
Molecular Weight | 376.45 |
Appearance | Solid (likely) |
Physical State At Room Temp | Solid |
Odor | Unknown |
Solubility In Water | Low (expected, due to non - polar nature) |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, toluene (expected) |
Melting Point | Unknown |
Boiling Point | Unknown |
Density | Unknown |
Vapor Pressure | Low (expected for a solid) |
Flash Point | Unknown |
Stability | Stable under normal conditions (expected) |
Hazardous Nature | Unknown |
Chemical Formula | C21H22F2O2S |
Molecular Weight | 378.46 |
Appearance | Solid (predicted) |
Boiling Point | Estimated high - boiling liquid or solid |
Solubility In Water | Low solubility (predicted) |
Vapor Pressure | Low vapor pressure (predicted) |
Logp | High lipophilicity (predicted) |
Chemical Formula | C21H22F2O2S |
Molecular Weight | 378.46 |
3-Ethoxy-4, what is the main use of 6-difluoro-7-pentoxy-dibenzothiophene
3-Ethoxy-4,6-difluoro-7-pentoxydibenzothiophene is widely used in various fields of chemical industry and scientific research.
In the process of organic synthesis, it often acts as a key intermediate. With its unique molecular structure, it can undergo various chemical reactions to form other complex organic compounds. If it can be combined with many reagents under specific reaction conditions to form new carbon-carbon bonds or carbon-heteroatomic bonds, it paves the way for the creation of organic molecules with special properties and structures, which is of great significance in the fields of medicinal chemistry and materials science.
In the process of drug development, or because of its structural properties, it shows potential biological activity. Scientists hope to develop new drugs with excellent efficacy and mild side effects by chemically modifying and derivatizing them. For example, in the exploration of anti-tumor and antiviral drugs, using this as the starting material, through a series of exquisite synthesis steps, may produce targeted and highly effective drug lead compounds.
In the field of materials science, it also has good performance. Due to its sulfur and aromatic ring structure, it may endow materials with specific electrical and optical properties. Like the application to the preparation of organic semiconductor materials, it may improve the material carrier mobility and stability, and contribute to the development of organic electronic devices such as organic Light Emitting Diodes (OLEDs) and organic field effect transistors (OFETs).
Furthermore, in the manufacture of fine chemical products, it may also play an important role. The production of fine chemicals such as special coatings and high-performance lubricants can optimize product performance by participating in reactions, such as improving the weather resistance of coatings and enhancing the anti-friction and anti-wear properties of lubricants.
3-Ethoxy-4, what are the physical properties of 6-difluoro-7-pentoxy-dibenzothiophene
3-Ethoxy-4,6-difluoro-7-pentoxy-dibenzothiophene has many physical properties. Its appearance is often solid, but it is affected by the specific substituents in the molecular structure, or the melting point and boiling point. It is speculated that the melting point may be due to the presence of ethoxy and pentoxy groups, and it melts in a moderate temperature range. This type of long-chain alkoxy groups can stabilize the lattice structure by means of weak interactions between molecules. It is estimated that the melting point may be in the range of melting points of common organic compounds, or between 100 ° C and 200 ° C.
In terms of boiling point, due to the core structure of the molecule containing dibenzothiophene, plus ethoxy, pentoxy and fluorine atoms, the intermolecular forces are complex. In addition to van der Waals forces, fluorine atoms have high electronegativity or involve weak hydrogen bonding, resulting in an increase in boiling point. The estimated boiling point may be higher than 300 ° C. Due to its complex structure and strong intermolecular forces, more energy is required to overcome the intermolecular binding and realize the transition from liquid to gaseous.
In terms of solubility, according to the principle of similarity compatibility, its molecules have both polar groups (oxygen atoms of ethoxy and pentoxy groups) and non-polar dibenzothiophene cores, and their solubility may be different in organic solvents. In polar organic solvents such as ethanol and acetone, or due to the interaction between polar groups and solvent molecules, it exhibits certain solubility; in non-polar organic solvents such as n-hexane and benzene, due to the matching of non-polar cores with solvents, it may also have certain solubility.
In terms of density, the molecule contains relatively large atoms such as sulfur and fluorine, and the structure is compact, so the density may be greater than that of common hydrocarbons. However, the exact value needs to be determined experimentally and accurately. According to the structure, the density may be between 1.2g/cm ³ and 1.5g/cm ³.
In addition, the compound may have certain optical properties due to the conjugated dibenzothiophene structure. For example, under the irradiation of specific wavelengths, it exhibits absorption spectral characteristics due to π-π * transition. And fluorine atoms introduce or affect their electron cloud distribution, resulting in more unique optical properties, providing potential for their application in the field of optical materials.
What is the synthesis method of 3-Ethoxy-4, 6-difluoro-7-pentoxy-dibenzothiophene?
To prepare 3-ethoxy-4,6-difluoro-7-pentoxy-dibenzothiophene, the following ancient method can be used.
First take the dibenzothiophene as the base, with its sulfur atom as the center, and the surrounding aromatic ring can be modified. In a suitable reactor, put an appropriate amount of dibenzothiophene, add a suitable organic solvent, such as dichloromethane or toluene, and make it dissolve uniformly. This is the base solution for the initial reaction.
Then, introduce an ethoxy group. Ethoxylation reagents can be selected, such as sodium ethanol or diethyl sulfate. Take sodium ethyl alcohol as an example, slowly add it to the reactor, control the temperature in a certain range, or between 30 and 50 degrees Celsius, and stir continuously during the period to make the reaction sufficient. The ethoxylation reagent undergoes nucleophilic substitution at the activity check point of dibenzothiophene, and the ethoxy group is then connected to a specific position of dibenzothiophene to obtain an ethoxy-containing intermediate.
Next, perform difluorine substitution. Select a suitable fluorination reagent, such as Selectfluor, etc. In a low temperature environment, or -20 to 0 degrees Celsius, add the fluorination reagent dropwise to the reaction system. The fluorination reagent interacts with the intermediate to introduce the fluorine atom at a specific aromatic ring position to obtain the intermediate of 4,6-difluoro-3-ethoxy-dibenzothiophene. This step requires attention to the selectivity and degree of reaction of the fluorination reaction, and beware of over-fluorination or side reactions.
Finally, introduce the pentoxy group. Take pentanol and an appropriate base, such as sodium hydride, to prepare pentoxy negative ions first. The pentoxy negative ion is added to the reaction system containing the above intermediate, and the temperature is raised to 50 to 70 degrees Celsius. The pentoxy negative ion undergoes nucleophilic substitution with the intermediate, and the pentoxy group is connected to a specific position to obtain 3-ethoxy-4,6-difluoro-7-pentoxy-dibenzothiophene.
After the reaction is completed, the pure product is obtained by conventional separation and purification methods, such as column chromatography. Each step of the reaction requires precise temperature control and control, and attention is paid to the proportion of reagents to ensure that the reaction proceeds in the desired direction and improve the yield and purity of the product.
What is the price range of 3-Ethoxy-4, 6-difluoro-7-pentoxy-dibenzothiophene in the market?
I have not heard the exact price range of 3 - Ethoxy - 4,6 - difluoro - 7 - pentoxy - dibenzothiophene in the market. This is a rather uncommon chemical substance, and its price may vary greatly due to changes in quality, purity, suppliers, and market supply and demand.
If you want to find its price, you should follow the way of chemical product trading. First, you can visit professional chemical product trading platforms, such as Gade Chemical Network. Such platforms are multi-polymer chemical product suppliers. There may be quotations for this substance on them. However, because the quotations on the platform may be untrue and outdated, they need to be screened in detail. Second, you can contact chemical raw material suppliers directly, such as large domestic chemical raw material suppliers, to inquire about the price of this substance, but you also need to consider your own purchase volume. If the quantity is small, the price may be high; if the quantity is large, there may be discounts. Third, you can participate in chemical industry exhibitions, where you can face suppliers directly, inquire about prices and negotiate cooperation.
However, at present, I do not have the exact data of the past price of this substance for reference, and it is difficult to determine the current market price range. If you are eager to know, you can quickly follow the above channels to obtain relatively accurate price information.
3-Ethoxy-4, 6-difluoro-7-pentoxy-dibenzothiophene what are the potential risks or hazards
3-Ethoxy-4,6-difluoro-7-pentoxydibenzothiophene, in the field of chemical industry, there are many potential dangers.
The first to bear the brunt is its solubility. If this substance is accidentally spilled on water bodies, it is difficult to dissolve in water or float on the water surface, difficult to degrade naturally, causing water bodies to be polluted, and the habitat of aquatic organisms is also damaged.
Furthermore, in organic solvents, its solubility characteristics or risk of fire. If it encounters an open flame or a hot topic, the organic solvent may burn rapidly, and the fire will spread, causing a disaster.
And the human body comes into contact with it, there are also hazards. If the skin touches it, it may cause skin allergies, redness, swelling, and itching. If it is accidentally inhaled, its volatile particles in the air may invade the respiratory tract, causing cough, asthma, and even damage to lung function. Accidental ingestion is even more harmful, or may cause digestive system disorders, abdominal pain, vomiting, and damage to organs.
When storing and transporting, extra caution is also required. Due to the danger caused by its solubility, it should be kept away from fire and heat sources, and stored in a cool and ventilated environment to prevent accidents. If the package is damaged during transportation, it will leak out, and according to its solubility and dangerous characteristics, it may cause environmental pollution and endanger surrounding organisms.
Therefore, when operating this object, it is necessary to strictly follow safety procedures and take comprehensive protection to avoid all kinds of hazards.