What is the chemical structure of Cis- [2- (2,4-Dichlorophenyl) -2- (1H-1,2,4-Triazol-1-Ylmethyl) -1,3-Dioxolan-4-Yl] Methyl-4-Methlbenzenesulphonate
This is the chemical structure analysis of cis- [2- (2,4-dichlorophenyl) -2 - (1H-1,2,4-triazole-1-ylmethyl) -1,3-dioxolane-4-yl] methyl-4-methylbenzenesulfonate.
Looking at its name, it can be seen that this compound is composed of multi-part structural fragments. The first paragraph is "cis- [2- (2,4-dichlorophenyl) ", where "2,4-dichlorophenyl" indicates that the 2nd and 4th positions of the benzene ring are replaced by chlorine atoms, and the overall structure is a cis-configuration.
"2- (1H-1,2,4-triazole-1-ylmethyl) ", this section reveals that 1 of 1,2,4-triazole is connected to the main structure by methylene.
"1,3-dioxolane-4-yl", showing a five-membered ring structure in which 1 and 3 are oxygen atoms, and 4 of the ring is involved in connecting other structural fragments.
"Methyl-4-methylbenzenesulfonate" indicates that there is a methyl group connected to the 4-methylbenzenesulfonate group, and the benzene ring of the benzenesulfonate group has a methyl substitution at the 4 position.
Overall, the chemical structure of this compound is composed of benzene ring, triazole ring, dioxyamyl ring and benzenesulfonate structure containing specific substituents through specific connection methods. The interaction of each structural fragment endows the compound with unique chemical properties and reactivity.
What are the physical properties of Cis- [2- (2,4-Dichlorophenyl) -2- (1H-1,2,4-Triazol-1-Ylmethyl) -1,3-Dioxolan-4-Yl] Methyl-4-Methlbenzenesulphonate
Cis- [2- (2,4-dichlorophenyl) -2 - (1H-1,2,4-triazole-1-ylmethyl) -1,3-dioxolane-4-yl] methyl-4-methylbenzenesulfonate, which has many physical properties. Its properties are often white crystalline solids and stable at room temperature and pressure. This stability is due to the relatively strong chemical bonds between atoms in its molecular structure.
In terms of melting point, it is about 134-136 ° C. The melting point range is determined by the intermolecular force, which is moderate, so that in a specific temperature range, the substance changes from solid to liquid. The boiling point is affected by factors such as molecular mass and intermolecular force. Although the exact value will vary slightly due to different experimental conditions, it is generally in a higher temperature range. Due to the relatively large size of the molecule and the existence of various forces, it requires higher energy to overcome and boil.
Solubility, slightly soluble in water, because its molecular structure contains more hydrophobic groups, such as dichlorophenyl, methyl benzenesulfonate, etc., it is difficult to form an effective force between these groups and water molecules, so it is not easily soluble in water. However, it is soluble in some organic solvents, such as acetone, dichloromethane, etc., because these organic solvents and the molecules of the substance can form similar intermolecular forces, following the principle of similar phase dissolution.
Density is also an important physical property. The specific value depends on accurate measurement, which is roughly consistent with the density range of common organic compounds. It reflects the mass distribution of molecules in unit volume and is closely related to molecular structure and composition.
What is the main use of Cis- [2- (2,4-Dichlorophenyl) -2- (1H-1,2,4-Triazol-1-Ylmethyl) -1,3-Dioxolan-4-Yl] Methyl-4-Methlbenzenesulphonate
Cis- [2- (2,4-dichlorophenyl) -2- (1H-1,2,4-triazole-1-ylmethyl) -1,3-dioxolane-4-yl] methyl-4-methylbenzenesulfonate, which is a technical term in the field of chemistry, its main use is quite extensive.
In the field of agriculture, it is often used as a fungicide. In the past, diseases in farmland were frequent, and many crops suffered from them, resulting in a sharp decrease in yield. This agent is like the guardian of farmland, which can effectively resist diseases caused by a variety of fungi. Such as powdery mildew and rust in crops, this agent can interfere with the physiological and metabolic processes of fungi, such as inhibiting the synthesis of their cell membranes, hindering the growth and reproduction of fungi, thereby protecting the health of crops and ensuring the harvest.
In the industrial field, it also has its place. In the production process of some materials, it is susceptible to microbial erosion and deterioration. This compound can be added as a preservative to prolong the service life of the material, ensure the quality and stability of industrial products, and act as a strong shield to protect the material from microbial intrusion.
In scientific research, it is also an important tool. Scientists often use its unique chemical structure and properties to explore the mechanism of organic synthesis reactions and explore the synthesis path of new compounds. Just like exploring the key to the chemical world, it helps researchers open more unknown doors, promotes the continuous development of the chemical discipline, and lays the foundation for innovation in various fields.
What are the production methods of Cis- [2- (2,4-Dichlorophenyl) -2- (1H-1,2,4-Triazol-1-Ylmethyl) -1,3-Dioxolan-4-Yl] Methyl-4-Methlbenzenesulphonate
The method of preparing cis- [2- (2,4-dichlorophenyl) -2 - (1H-1,2,4-triazole-1-ylmethyl) -1,3-dioxyamyl-4-yl] methyl-4-methylbenzenesulfonate follows the following methods.
First, 2,4-dichlorobenzaldehyde and 1,2-propanediol are used as the starting point, and the corresponding acetal is obtained through a condensation reaction. This step requires acid as the catalyst, such as p-toluenesulfonic acid, to be refluxed in a suitable solvent, such as toluene, and azeotropic to remove water to promote the reaction to form the product. The acetal compound is then catalyzed with 1,2,4-triazole. Sodium hydride is often selected as a base, and 1,2,4-triazole-1-methyl is introduced into an aprotic solvent such as N, N-dimethylformamide. The target product can be obtained after a series of reactions such as hydroxyl protection and sulfonylation.
Second, 4-methylbenzenesulfonyl chloride and alcohol with suitable substitutions can also be used as raw materials. First, alcohols containing 2,4-dichlorophenyl, 1,2,4-triazole-1-methyl and 1,3-dioxolane-4-yl are synthesized through multi-step reactions. The starting materials can be diverse, such as reacting halogenated hydrocarbons containing corresponding substituents with 1, 2, 4-triazole to construct structural units containing triazole, and then reacting with aldehyde, diol, etc., to build a 1,3-dioxane ring structure to generate corresponding alcohols. Then the alcohol is reacted with 4-methylbenzenesulfonyl chloride in the presence of a base, which can be selected from pyridine, etc., in dichloromethane and other solvents, through nucleophilic substitution, to obtain cis - [2 - (2,4 - dichlorophenyl) -2 - (1H - 1,2,4 - triazole - 1 - ylmethyl) -1,3 - dioxyamyl - 4 - yl] methyl - 4 - methylbenzenesulfonate.
Each method needs to be weighed according to the availability of raw materials, the difficulty of controlling the reaction conditions, the purity and yield of the product, etc., and the best one should be selected.
Cis- [2- (2,4-Dichlorophenyl) -2- (1H-1,2,4-Triazol-1-Ylmethyl) -1,3-Dioxolan-4-Yl] Methyl-4-Methlbenzenesulphonate What are the precautions during use
[2- (2,4-dichlorophenyl) -2- (1H-1,2,4-triazole-1-ylmethyl) -1,3-dioxypentyl-4-yl] methyl-4-methylbenzenesulfonate This substance, when used, many taboos should be avoided and must not be ignored.
The first one must be carefully examined before use. Observe its color, observe its taste, and test its quality. If there is any abnormality, it must not be used. Cover the change in its characteristics, or show that its quality has changed, and use it for fear of unexpected disasters.
Second, when handling, protection must be taken care of. Appropriate protective clothing, gloves, and masks must be worn to avoid contact with the body, skin, and eyes. This substance is unknown, or there is a risk of irritation or poisoning. If you are not careful, it will involve the body, and it will be too late to regret.
Furthermore, the place you use it must be well ventilated. If you are in a secret room, the gas cannot be passed through, and the volatile gas of this thing will gather but not dissipate, inhaling the lungs, which will damage your health. And good ventilation will also prevent the risk of accidental explosion, which may be flammable.
Repeat, the control of quantity is the key. If you use too much, it may cause an overreaction, causing damage to people; if you use too little, it will not achieve the expected effect. Therefore, you need to use it in accordance with precise laws and established regulations.
Also, you need to pay attention to storage. It should be placed in a cool, dry, dark place, away from fire and heat sources, to prevent its deterioration. If the storage is improper, the physical properties will become easier, and the use will be difficult to harvest, which will also increase the danger.
In short, the use of cis- [2- (2,4-dichlorophenyl) -2- (1H-1,2,4-triazole-1-ylmethyl) -1,3-dioxolane-4-yl] methyl-4-methylbenzenesulfonate, all details are related to safety and effectiveness, and should not be taken lightly.