What are the main uses of 5-Cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluonitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile)?
5-Cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluonitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile) are fluorinated organic compounds, which are widely used in organic synthesis, pharmaceutical chemistry, materials science and other fields.
In the field of organic synthesis, both are key synthetic intermediates. The cyano group, fluorine atom and trifluoromethyl group of 5-cyano-2-fluoro-trifluorotoluene are unique and active, and can participate in many classical reactions, such as nucleophilic substitution reaction, the cyano group can be replaced with nucleophilic reagents, and different functional groups are introduced to expand the molecular structure ;α,α,α, The tetrafluoromethyl group of 4-tetrafluoro-m-toluenitrile and the cyanyl group can also be converted into carboxyl groups through various reactions, such as hydrolysis reaction, or converted into amino groups through reduction reaction, etc., to synthesize complex organic compounds, providing various paths for the creation of new compounds.
In the field of pharmaceutical chemistry, due to its fluorine-containing properties, it can significantly affect the physical and chemical properties of drug The introduction of fluorine atoms can enhance the fat solubility of molecules, which is conducive to the passage of drugs through biofilms and improve bioavailability; it can also enhance the stability of molecules, resist the degradation of metabolic enzymes, and prolong the action time of drugs in the body. These two can be used as structural fragments of lead compounds. After structural modification and optimization, new specific drugs can be developed, such as anti-cancer, antiviral, and antibacterial drugs.
In terms of materials science, the special properties of fluorinated compounds can be used to prepare high-performance materials. 5-cyano-2-fluorotrifluorotoluene and α, α, α, 4-tetrafluoro-m-toluonitrile can be used as raw materials to participate in the polymerization reaction to prepare fluoropolymers. This type of polymer has excellent weather resistance, chemical corrosion resistance, and low surface energy, and can be used to make special coatings, high-performance plastics, optical materials, etc. It is widely used in aerospace, electronics, automotive, and other industries.
What are the physical properties of 5-Cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluonitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile)
5-Cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluenitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile) are fluorinated organic compounds with important applications in the chemical industry. Their physical properties are as follows:
** 1. ** Appearance and characteristics **: At room temperature, it is mostly colorless to light yellow transparent liquid, visually clear and pure, without obvious impurities and precipitation, and often shows such characteristics in chemical production observation.
2. ** Odor **: emits an irritating odor, and smells a special chemical smell. This smell can be used as a preliminary basis for identification in operation and use scenarios to remind personnel to take good protection.
3. ** Boiling point **: The boiling point is in a specific temperature range, about 140-145 ° C. The boiling point determines its behavior in processes such as heating separation. Under suitable temperature conditions, gas-liquid conversion can be realized.
4. ** Melting point **: The melting point is relatively low, about - 20 ° C, which means that it exists stably in a liquid state at room temperature, and it is possible to solidify in a low temperature environment. The storage and transportation temperature requirements are different.
5. ** Solubility **: It is difficult to dissolve in water. Due to the influence of fluorine atoms and cyanyl groups in the molecular structure, the polarity difference with water is large, but it is easily soluble in common organic solvents such as ethanol, ether, dichloromethane, etc. It is of great significance in the construction of organic synthesis reaction systems.
6. ** Density **: The density is greater than that of water, about 1.45 - 1.50 g/cm ³. In stratification experiments or mixed systems, it will be in the lower layer. This characteristic can be used in the separation and purification process.
** 、α,α,α, 4-tetrafluoro-m-toluene nitrile **
1. ** Appearance and properties **: Usually colorless to slightly yellow liquid, similar in appearance to 5-cyano-2-fluorotrifluorotoluene, transparent, this state is presented in production and experimental observations.
2. ** Odor **: Also has an irritating odor, similar to the odor of 5-cyano-2-fluorotrifluorotoluene. Protective measures should be taken during operation and contact to avoid inhalation.
3. ** Boiling point **: The boiling point is about 150 - 155 ° C, slightly higher than 5-cyano-2-fluorotrifluorotoluene. The separation of the two can be achieved based on the difference in boiling point in the separation process such as distillation.
4. ** Melting point **: The melting point is about -30 ° C, which is lower than 5-cyano-2-fluorotrifluorotoluene. It has better low temperature stability and stronger tolerance to low temperature storage and transportation.
5. ** Solubility **: It has very little solubility in water and belongs to hydrophobic substances. It has good solubility in organic solvents such as acetone and ethyl acetate, providing a solubility basis for organic reactions.
6. ** Density **: The density is about 1.35 to 1.40 g/cm ³, which is larger than water but less than 5-cyano-2-fluorotrifluorotoluene. It shows different positions in the stratification of the mixed system and is a reference for separation and identification.
What are the chemical properties of 5-Cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluonitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile)
5-Cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluenitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile) are fluorine-containing organic compounds, and their chemical properties are interesting. Let me explain in detail for you.
5-cyano-2-fluorotrifluorotoluene, the cyano group (-CN) in the molecule gives it a certain reactivity. Cyanyl groups can participate in a variety of reactions, such as hydrolysis reactions. Under appropriate conditions, cyanyl groups can be converted into carboxyl groups (-COOH), thereby generating corresponding carboxylic acid derivatives. This reaction is often used in organic synthesis to construct compounds containing carboxyl groups, laying the foundation for further functional group conversion. The introduction of fluorine atoms not only enhances the stability of the molecule, but also affects the electron cloud distribution of the molecule due to its high electronegativity, which decreases the electron cloud density of the carbon atoms connected to it, thereby affecting the nucleophilic substitution reaction activity of the compound. Trifluoromethyl (-CF) has strong electron-withdrawing properties, which can significantly change the physical and chemical properties of molecules, such as improving the lipid solubility of compounds, affecting their solubility in different solvents, and can be used as a stable functional group in some reactions, affecting the selectivity of the reaction.
α,α,α, 4-tetrafluoro-m-toluonitrile, which also contains a cyano group, has the general reaction characteristics of cyano groups. The existence of four fluorine atoms greatly changes the electronic structure and spatial configuration of the molecule. The strong electron-withdrawing effect of fluorine atoms reduces the electron cloud density on the benzene ring, making it relatively difficult for electrophilic substitution reactions to occur. On the contrary, nucleophilic substitution reactions may be easier to proceed. Due to the steric hindrance of multiple fluorine atoms, the spatial structure of molecules is relatively special, which affects the stereochemistry of the reactions they participate in. In addition, fluorine atoms at the α position can undergo elimination reactions under appropriate conditions due to their special positions, providing a unique reaction path for organic synthesis.
Both exhibit different chemical properties from traditional organic compounds due to the existence of fluorine atoms, and have important application potential in organic synthesis, pharmaceutical chemistry and other fields. They can be used to design and synthesize new compounds with special properties.
What is the method for producing 5-Cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluenitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile)?
5-Cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluenitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile) are both organic compounds, and their preparation methods are different due to differences in processes, raw materials, etc. The following is a brief description of common production methods:
First, 5-cyano-2-fluorotrifluorotoluene, often with 2-fluoro-5-nitrotrifluorotoluene as the starting material. This raw material is heated and stirred with cuprous cyanide in a suitable organic solvent, such as N, N-dimethylformamide (DMF). The cyano group in cuprous cyanide will replace the nitro group to obtain the target product. This reaction requires strict control of temperature and reaction time. If the temperature is too high or the time is too long, side reactions are prone to occur. In addition, 2-fluoro-5-nitrotrifluorotoluene can also be reduced to 2-fluoro-5-aminotrifluorotoluene first, and then prepared by diazotization, cyano substitution and other steps, but this route step is slightly complicated.
Let's talk about α, α, α, 4-tetrafluoro-m-toluenitrile, usually m-xylene as the starting material. M-xylene is first side-chain chlorinated with chlorine under the action of light or initiator to obtain trichloro-m-xylene. Then ,α,α,α - trichloro-m-xylene and anhydrous hydrogen fluoride under the action of catalysts such as antimony pentachloride, the fluorination reaction occurs, so that the chlorine atom is replaced by the fluorine atom to form α,α,α - trifluoro-m-toluene. Finally ,α,α,α - trifluoro-m-toluene, ammonia and oxygen in the presence of a catalyst, through the ammonia oxidation reaction, the methyl group is converted into a cyanyl group to obtain α, α, α, 4-tetrafluoro-m-toluenitrile. In this process, the reaction conditions at each step need to be carefully controlled. The amount of chlorine and light intensity during chlorination, the amount of hydrofluoric acid and the activity of the catalyst during fluorination, the ratio of ammonia to oxygen and the reaction temperature during ammonia oxidation all have important effects on the yield and purity of the product.
What is the market price range for 5-Cyano-2-fluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluenitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile)?
The price of 5-cyano-2-fluorotrifluorotoluene (5-Cyano-2-Fluorobenzotrifluoride) and α, α, α, 4-tetrafluoro-m-toluonitrile (Alpha, Alpha, Alpha, 4-Tetrafluoro-M-Tolunitrile) in the market is also a question.
The market price of such compounds often varies with time, place, quality, quantity and supply and demand, and it is difficult to determine. Looking at the traces of past transactions, the price of such compounds fluctuates frequently.
5-Cyano-2-fluoro-trifluorotoluene, if the amount is small, or tens to hundreds of yuan per gram, buy in bulk, the gram price may be slightly reduced. The method of covering its production needs to be fine, the raw materials and processes are related to the cost, so the price is this much.
α,α,α, 4-tetrafluoro-m-toluenitrile is also the same, and the retail price per gram may be tens to hundreds of yuan. If the purchase quantity is large, the manufacturer may reduce the price per gram by a few yuan to tens of yuan in order to promote the transaction.
And the market situation is changing rapidly, and the price of chemical raw materials also changes with the price of basic materials such as crude oil, policy regulation, and environmental protection requirements. In order to know the real-time price, when consulting chemical raw material suppliers and trading platforms, you can know the current price range.