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What is the chemical structure of Alpha-Cyano-Alpha- [4- (1,1-Dimethylethyl) phenyl] -Beta-Oxo-2- (Trifluoromethyl) Benzenepropanoic Acid 2-Methoxyethyl Ester?
Looking at the name "Alpha - Cyano - Alpha - [4- (1,1 - Dimethylethyl) phenyl] - Beta - Oxo - 2 - (Trifluoromethyl) Benzenepropanoic Acid 2 - Methoxyethyl Ester", it can be seen that this is the name of an organic compound. According to the principle of organic chemistry, its structure must have a specific group and connection method.
"Alpha - Cyano", that is, α-cyano, epicyano (-CN) is connected to α-carbon at a specific location. " Alpha - [4- (1,1 - Dimethylethyl) phenyl] ", which refers to the alpha-position connected with a phenyl group, and the 4-position of the phenyl group is connected with tert-butyl (1,1 - dimethyl ethyl)." Beta - Oxo ", which is said to have a carbonyl group in the beta-position (-C = O)." 2- (Trifluoromethyl) ", the 2-position of the phenyl ring is connected with trifluoromethyl (-CF 🥰)." Benzenepropanoic Acid ", which shows that this is a phenylpropionic acid structure, with phenylcyclopropionic acid as the basic framework." 2-Methoxyethyl Ester ", which is an ester formed with 2-methoxyethanol, that is, the carboxyl group is dehydrated and condensed with the hydroxyl group of 2-methoxyethanol to form an ester bond (-COO -).
In summary, the structure of this compound is based on phenylpropionic acid as the parent nucleus, α-site cyano and phenyl containing tert-butyl, β-site carbonyl, benzene ring 2-site trifluoromethyl, and carboxyl and 2-methoxyethanol to form esters. Its complex and delicate structure and group interaction must endow this compound with unique physical and chemical properties.
What are the physical properties of Alpha-Cyano-Alpha- [4- (1,1-Dimethylethyl) phenyl] -Beta-Oxo-2- (Trifluoromethyl) Benzenepropanoic Acid 2-Methoxyethyl Ester?
This is an organic compound with a long and complicated name, evoking "Alpha-cyano-Alpha- [4 - (1,1 - dimethylethyl) phenyl] - Beta-oxo-2 - (trifluoromethyl) phenylpropionic acid 2 - methoxyethyl ester". Its physical properties are rich and diverse, and it is closely related to its own chemical structure.
Looking at its state, it may be liquid under normal circumstances. Due to the intermolecular forces and structural characteristics, the molecular movement is relatively free, resulting in the substance showing a liquid state. As for the color, most of them are colorless and transparent. There is no specific chromogenic group in the structure of such organic compounds, so they do not absorb visible light, so they appear colorless.
The smell of smell has a certain volatility and emits a special organic smell. This is due to the fact that the molecule is easily volatilized into the air and stimulates the olfactory receptors.
When it comes to solubility, the compound has good solubility in organic solvents such as ethanol and ether. This is because it is an organic molecule and follows the principle of "similarity and compatibility". It interacts with organic solvent molecules such as van der Waals force, which promotes its dissolution. However, the solubility in water is extremely low. Due to its weak molecular polarity, it is difficult to overcome the hydrogen bond between water molecules and the force between water molecules, so it is difficult to dissolve in water.
Then again, the density may be different from that of water. The specific density value is closely related to the molecular structure. The type, number and arrangement of atoms contained in the molecule affect the ratio of its mass to volume, resulting in a density greater than or less than that of water.
When talking about the melting point and boiling point, it is determined by the intermolecular forces. There is a van der Waals force between molecules, and some groups in the structure may form hydrogen bonds, which enhances the intermolecular bonding force. It requires a higher temperature to break, so the melting point and boiling point are relatively high.
This compound is rich in physical properties and has far-reaching effects on its chemical reactions, industrial applications and environmental behavior.
What is the application field of Alpha-Cyano-Alpha- [4- (1,1-Dimethylethyl) phenyl] -Beta-Oxo-2- (Trifluoromethyl) Benzenepropanoic Acid 2-Methoxyethyl Ester?
This substance is called α-cyano - α - [ 4- (1,1-dimethethyl) phenyl ] - β - oxo-2 - (trifluoromethyl) phenylpropionic acid 2-methoxyethyl ester. It is often used as an active ingredient in the field of agrochemistry to make insecticides. Its special chemical structure can effectively interfere with the physiological processes of the nervous system and respiratory system of pests and cause their death. It has a good control effect on a variety of pests, such as Lepidoptera and Hemiptera pests, to protect crops from damage and improve yield and quality.
In the field of pharmaceutical research, due to its unique chemical properties or potential biological activity, scientists study its mechanism of action on specific diseases, such as exploring the inhibitory effect on certain tumor cells and related pathways, providing direction and possibility for innovative drug development. In the future, it may become an effective drug for the treatment of specific diseases after in-depth research and optimization.
What is the synthesis method of Alpha-Cyano-Alpha- [4- (1,1-Dimethylethyl) phenyl] -Beta-Oxo-2- (Trifluoromethyl) Benzenepropanoic Acid 2-Methoxyethyl Ester?
The full name of this compound is α-cyano - α - [ 4- (1,1-dimethethyl) phenyl ] - β - oxo-2 - (trifluoromethyl) phenylpropionic acid 2-methoxyethyl ester, and its synthesis method is as follows:
The starting material is selected from common organic compounds such as p-tert-butyl phenylacetonitrile, trifluoromethylacetophenone and diethyl carbonate.
The first step is to make p-tert-butyl phenylacetonitrile under the action of strong base reagents such as sodium hydride in a strong base environment. This process needs to be carried out in a low temperature and dry inert gas protective atmosphere to prevent the carbon negative ions from reacting with impurities such as water vapor in the air.
In the second step, the generated carbon negative ions are condensed with trifluoromethylacetophenone. The reaction requires strict control of the reaction temperature and the ratio of the reactant. In an appropriate organic solvent, such as anhydrous tetrahydrofuran, the reaction is gradually reacted in the interval from low temperature to room temperature, resulting in the formation of the key intermediate product α-cyano - α - [ 4- (1,1-dimethylethyl) phenyl ] - β - oxo-2 - (trifluoromethyl) phenylpropionic acid.
The third step, the obtained α-cyano - α - [ 4- (1,1 - dimethylethyl) phenyl ] - β - - 2 - (trifluoromethyl) phenylpropionic acid and 2 - methoxyethanol in a catalyst, such as concentrated sulfuric acid or p-toluenesulfonic acid, esterification reaction under conditions of heating and water separation means. By continuously removing the water generated by the reaction, the reaction equilibrium is moved in the direction of ester formation, and finally the target product is obtained α-cyano - α - [ 4 - (1,1 - dimethylethyl) phenyl ] - β - oxygen - 2 - (trifluoromethyl) phenylpropionic acid 2 - methoxyethyl ester. After the reaction, the product needs to be purified by conventional separation and purification methods, such as extraction, column chromatography, etc., to obtain high-purity target compounds.
What are the safety precautions for Alpha-Cyano-Alpha- [4- (1,1-Dimethylethyl) phenyl] -Beta-Oxo-2- (Trifluoromethyl) Benzenepropanoic Acid 2-Methoxyethyl Ester?
Alpha - Cyano - Alpha - [4 - (1,1 - Dimethylethyl) phenyl] - Beta - Oxo - 2 - (Trifluoromethyl) Benzenepropanoic Acid 2 - Methoxyethyl Ester, this is an organic compound. Regarding its safety precautions, it should be carefully observed as follows:
Bear the brunt, this substance may be toxic. After exposure, it may cause many damages to the human body, to the skin, or cause allergies, redness, swelling, and itching; to the eyes, it can cause tingling, redness, and even damage to vision. If inadvertently inhaled, or irritates the respiratory tract, causing cough, asthma, and severe cases, it can cause breathing difficulties. After accidentally eating, it may hurt the stomach, nausea, vomiting, abdominal pain, etc. Therefore, when operating, be sure to take good protection, such as protective clothing, protective gloves and goggles, work in a well-ventilated place, and beware of contact and inhalation.
Furthermore, this material may be flammable. In case of open flames or hot topics, there is a risk of fire or explosion. When storing, it should be kept away from fire and heat sources, placed in a cool and ventilated place, and stored separately from oxidants. Do not mix to prevent dangerous chemical reactions.
Repeat, it may be harmful to the environment. Flowing into the environment, or affecting the ecological balance, harming animals and plants. When dealing with this waste, it should be properly disposed of in accordance with relevant laws and regulations, and should not be dumped at will, so as not to contaminate the soil and water sources.
When handling this compound, the staff should also be familiar with first aid knowledge. If it comes into contact with the skin, it should be rinsed with a lot of water immediately, and then seek medical attention according to the situation; if it comes into contact with the eyes, rinse with a lot of water immediately, open the eyelids, and then seek medical attention; if inhaled, quickly move to a fresh place in the air to keep breathing smoothly, and if necessary, perform artificial respiration and send it to the doctor; if eaten by mistake, do not induce vomiting, seek medical attention quickly, and carry the compound information for the doctor to diagnose. In short, the operation of this substance must be