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What is the chemical structure of 3- (3-isopropyl-5-methyl-4H-1,2,4-triazole-4-yl) -8-azabicyclo [3.2.1] octane 4-methylbenzenesulfonate?
The chemical structure of this compound is as follows:
The individual parts in the name are first analyzed. "3- (3-isobutyl-5-methyl-4H-1,2,4-triazole-4-yl) " indicates that a triazole group containing a specific substituent is attached at position 3 of the main structure. Where isobutyl is a branched alkyl group, 5-methyl indicates that there is a methyl substitution at position 5 of the triazole ring.
"8-azabicyclic [3.2.1] octane" describes a bilicyclic structure composed of 8 atoms, including a nitrogen atom, and the connection and atomic distribution of the rings are determined by [3.2.1] this specific bridging ring numbering method.
"4-methylbenzenesulfonic anhydride" is a part connected to the above structure, and the phenyl ring in the benzenesulfonic anhydride structure has methyl substitution at the 4th position.
The overall structure is to use 8-azabicyclic [3.2.1] octane as the core, connect "3-isobutyl-5-methyl-4H-1,2,4-triazole-4-yl" at its No. 3 position, and connect the 4-methylbenzenesulfonic anhydride part at a suitable position. Since it is difficult to draw graphics directly, you can use professional chemical drawing software such as ChemDraw to accurately draw the chemical structure of the compound according to the above description, so as to understand its spatial configuration and atomic connection more intuitively.
What are the physical properties of 3- (3-isopropyl-5-methyl-4H-1,2,4-triazole-4-yl) -8-azabicyclo [3.2.1] octane 4-methylbenzene sulfonate?
4-Ethylbenzoic anhydride is an organic compound formed by the dehydration and condensation of benzoic acid. The following are brief descriptions of its physical properties:
- ** Appearance properties **: At room temperature, 4-ethylbenzoic anhydride is usually white to light yellow crystalline powder or lump, the quality is more brittle, and it is crushed by hand, giving it a delicate feeling. "Tiangong Kaiwu" said: "Where white soil is called chalk, it is used for exquisite utensils of the Tao family." This state is as delicate as chalk, and its texture can be seen.
- ** Melting point Boiling point **: The melting point is about 58-62 ° C, just like when ice meets the warm sun, it is easy to melt when heated, and turns into a flowing state. The boiling point is around 346.5 ° C, and it needs to be heated for a long time before it can boil.
- ** Solubility **: It is insoluble in water, like oil floating on the surface of the water, and does not mix with each other. But it is easily soluble in organic solvents such as ethanol and ether, just like fish entering water, it blends freely. This property is similar to many organic substances, which is exactly the principle of "birds of a feather flock together".
- ** Odor **: 4-ethylbenzoic anhydride has a special aromatic smell, so this fragrance is not the elegance of orchids, nor the brilliance of roses. Just like the unique smell of various substances in "Tiangong Kaiwu", it has its own unique characteristics. If you get close to it, you can smell it.
- ** Density **: The density is slightly higher than that of water. When placed in water, it sinks to the bottom like a stone and falls slowly. This is a sign of its density.
What is the use of 3- (3-isopropyl-5-methyl-4H-1,2,4-triazole-4-yl) -8-azabicyclo [3.2.1] octane 4-methylbenzenesulfonate?
I think what you said is a matter of chemistry. The "3 - (3 - isobutyl - 5 - methyl - 4H - 1,2,4 - triazole - 4 - yl) - 8 - azabicyclic [3.2.1] octane" and "4 - methylbenzenesulfonic anhydride" mentioned here are both chemical substances.
4 - methylbenzenesulfonic anhydride has a wide range of uses. In the field of organic synthesis, it is often used as a sulfonation reagent. By interacting with many organic compounds, a sulfonic acid group can be introduced, which can significantly change the properties of the compound. For example, in drug synthesis, the introduction of sulfonic acid groups through the sulfonation reaction may enhance the water solubility of the drug, making the drug more easily absorbed by the human body and improving the efficacy.
Furthermore, in some fields of material science, 4-methylbenzenesulfonic anhydride can participate in the polymerization reaction to prepare polymer materials with special properties. Its sulfonic acid groups can impart properties such as ion exchange ability and hydrophilicity to polymers, which are crucial in the preparation of ion exchange resins, proton exchange membranes and other materials.
In the field of catalysis, 4-methylbenzenesulfonic anhydride can be used as an acid catalyst to catalyze many organic reactions, such as esterification reactions, condensation reactions, etc. Its acidity can accelerate the reaction, and compared with traditional inorganic acid catalysts, it may have better selectivity and milder reaction conditions, which is more conducive to the control of the reaction and the purification of the product.
In short, 4-methylbenzenesulfonic anhydride has important uses in many fields of chemistry, providing powerful tools and means for organic synthesis, material preparation, and catalytic reactions.
What is the synthesis method of 3- (3-isopropyl-5-methyl-4H-1,2,4-triazole-4-yl) -8-azabicyclo [3.2.1] octane 4-methylbenzene sulfonate?
To prepare 3 - (3 - isobutyl - 5 - methyl - 4H - 1,2,4 - triazole - 4 - yl) - 8 - azabicyclo [3.2.1] octane and 4 - methylbenzenesulfonate, the method is as follows:
First take an appropriate amount of 3- (3 - isobutyl - 5 - methyl - 4H - 1,2,4 - triazole - 4 - yl) - 8 - azabicyclo [3.2.1] octane, placed in a clean reaction vessel. The preparation of this compound, or through a multi-step reaction, is obtained from the corresponding starting materials, according to specific reaction conditions and steps, through reactions such as substitution, cyclization, etc.
Then, slowly add an appropriate amount of 4-methylbenzenesulfonyl chloride, which is the key reagent for introducing 4-methylbenzenesulfonate ester group. At the same time, add an appropriate amount of base, such as triethylamine, to neutralize the hydrogen chloride generated during the reaction process and promote the forward reaction. The amount of base needs to be precisely controlled, and too much or too little may affect the rate and yield of the reaction.
During the reaction process, the reaction temperature and time need to be strictly controlled. Usually, the reaction temperature is maintained in a moderate range, such as between low temperature and room temperature, and the specific temperature depends on the actual situation of the reaction. If the temperature is too high, it may trigger side reactions and reduce the purity of the product; if the temperature is too low, the reaction rate will be slow and take too long. The reaction time also needs to be paid close attention. The reaction process can be monitored by means of thin layer chromatography (TLC). When the raw material reaction is complete, the reaction will be stopped.
After the reaction is completed, the reaction mixture is post-treated. Generally, the product is extracted with an organic solvent to transfer to the organic phase, and then washed and dried to remove impurities. When drying, a desiccant such as anhydrous sodium sulfate can be used to remove the residual moisture in the organic phase. Finally, the product was separated and purified by vacuum distillation, column chromatography and other methods to obtain pure 3- (3-isobutyl-5-methyl-4H-1,2,4-triazole-4-yl) -8-azabicyclo [3.2.1] octane-4-methylbenzenesulfonate. The whole synthesis process requires precise control of reaction conditions and fine operation of each step to ensure the quality and yield of the product.
What are the safety precautions for 3- (3-isopropyl-5-methyl-4H-1,2,4-triazole-4-yl) -8-azabicyclo [3.2.1] octane 4-methylbenzene sulfonate?
I look at what you said about "3- (3-isobutyl-5-methyl-4H-1,2,4-triazole-4-yl) -8-azabicyclic [3.2.1] octane + 4-methylbenzenesulfonic anhydride", which is related to chemical substances. Its safety requires attention to many aspects.
First, the toxicity of the chemical. The specific toxicity of this compound may vary depending on the route of exposure, dose, and duration. Inhalation, skin contact, or ingestion may cause different health effects. If the toxicity is strong, inhalation or cause respiratory irritation, injury, or even systemic poisoning; skin contact or cause allergies, burns, etc.; ingestion may damage the digestive system, causing nausea, vomiting, abdominal pain, etc.
Secondly, the danger of ignition and explosion. It is necessary to clarify whether it is flammable or explosive. If it is flammable, it may cause fire under high temperature, open flame, static electricity and other conditions; if it is explosive, under specific excitation conditions, or cause a violent explosion, endangering the safety of personnel and facilities.
Furthermore, stability and reactivity. How stable this substance is under normal conditions, if it encounters specific substances such as water, acid, alkali, oxidizing agent, reducing agent, etc., whether it will react violently and produce harmful or dangerous products, all need to be considered in detail.
In addition, storage and transportation safety cannot be ignored. When storing, it is necessary to choose a suitable environment according to its characteristics, such as temperature, humidity, ventilation and other conditions, and it needs to be reasonably isolated from other substances to prevent mutual reaction. When transporting, it is also necessary to follow relevant regulations and standards to ensure that the packaging is intact and prevent leakage and collision.
In short, for such chemical substances, it is necessary to fully understand their characteristics, and operate, store and transport in strict accordance with safety regulations to ensure the safety of personnel and the environment.