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What is the chemical structure of (2S) -1- (Benzyloxy) -3-Methyl-1-Oxobutan-2-Aminium 4-Methylbenzenesulfonate?
This is the name of the organic compound, (2S) -1- (benzyloxy) -3-methyl-1-oxobutane-2-ammonium-4-methylbenzene sulfonate. To know its chemical structure, let me explain in detail.
(2S) indicates that the configuration of the specific chiral center in this compound is S-type, which is determined according to the Cahn-Ingold-Prelog rule. This chiral center is located at position 2 of the butane main chain.
"1 - (benzyloxy) " means that the benzyloxy group is connected at position 1 of the butane main chain. The benzoxy group refers to the group connected to the oxygen atom of benzyl (benzyl), that is, -O-CH -2-benzene ring.
"3-methyl", indicating that there is a methyl (-CH 😉) substitution at position 3 of the butane main chain.
"1-oxo", that is, the carbon atom at position 1 is a component of carbonyl (C = O), so that the compound has the structural characteristics of ketones.
"Butane-2-ammonium", indicating that the nitrogen atom at position 2 of the butane main chain has a positive charge and forms an ammonium ion structure.
"4-methylbenzenesulfonate", this is the anionic part. 4-methylbenzenesulfonate, that is, the benzene ring of benzenesulfonate has a methyl substitution at position 4, and the acid group is combined with the cationic part by an ionic bond.
In summary, the chemical structure of this compound, the cationic part is ammonium ion containing a specific substituent and a chiral center, and the anionic part is 4-methylbenzenesulfonate, and the two interact to form salt compounds.
What are the main uses of (2S) -1- (Benzyloxy) -3-Methyl-1-Oxobutan-2-Aminium 4-Methylbenzenesulfonate?
(2S) -1- (benzyloxy) -3-methyl-1-oxobutane-2-ammonium 4-methylbenzenesulfonate, an organic compound, has important uses in many fields.
In the field of organic synthesis, it often acts as a key intermediate. It can be converted into other types of complex organic molecules through specific chemical reactions. For example, in reactions such as the construction of specific carbon-nitrogen bonds, with its unique molecular structure, it can provide the necessary activity check point for the reaction and help generate the desired target product, just like adding bricks and mortar to the synthesis of complex organic buildings.
It also has outstanding performance in pharmaceutical chemistry. Or as a lead compound, it points the way for the development of new drugs. Due to its structural characteristics, it may have specific biological activities, and researchers can modify and optimize it to improve the affinity and efficacy of compounds to specific targets, just like carefully carving a work of art to make it more suitable for treating diseases.
In the field of materials science, it can also emerge. For example, in the preparation of some functional materials, it can be introduced as a special structural unit to endow the material with unique physical and chemical properties, such as improving the solubility and stability of the material, just like injecting special "genes" into the material to make its performance more outstanding.
In summary, (2S) -1- (benzyloxy) -3-methyl-1-oxobutane-2-ammonium 4-methylbenzenesulfonate is a shining star in the fields of organic synthesis, medicinal chemistry and materials science, playing an indispensable role in promoting technological innovation and development in various fields.
What is the synthesis method of (2S) -1- (Benzyloxy) -3-Methyl-1-Oxobutan-2-Aminium 4-Methylbenzenesulfonate?
To prepare (2S) - 1 - (benzyloxy) - 3 - methyl - 1 - oxobutane - 2 - ammonium 4 - methylbenzene sulfonate, the method is as follows:
First take the appropriate starting material, often with a specific chiral compound as the beginning, which is related to the three-dimensional configuration of the product. To obtain the (2S) configuration, the configuration selection of the starting material is crucial.
Starting with a butane derivative with a suitable chiral center, under appropriate reaction conditions, the hydroxyl group is reacted with a benzyl halide in the presence of a base, potassium carbonate is often selected for the base, and acetonitrile is selected for the solvent. After nucleophilic substitution, a 1- (benzyloxy) structure is formed, that is, benzyloxy is introduced based on the 1 position of butane.
Then, the 3-methyl position is modified, or the methyl group is introduced into the 3 position by a suitable alkylation reaction with a reagent such as halomethane under suitable base and reaction conditions.
After the above-mentioned carbon skeleton and substituent are constructed, the 1-oxo structure is treated, and the corresponding alcohol is oxidized to ketones with a suitable oxidizing agent, such as Dice-Martin oxidizing agent, to form a 1-oxo structure.
At this time, the main structure of (2S) -1- (benzyloxy) -3-methyl-1-oxobutane has been obtained. Then this main structure is reacted with 4-methylbenzenesulfonic acid, and in an appropriate solvent such as dichloromethane, a salt-forming reaction is carried out. Ammonium ions are combined with 4-methylbenzenesulfonic acid to finally obtain (2S) - 1 - (benzyloxy) - 3 - methyl - 1 - oxobutane - 2 - ammonium 4 - methylbenzenesulfonate. Each step requires precise control of reaction conditions, such as temperature, reaction time, reagent dosage, etc., to obtain a product with high purity and high yield.
What are the physical and chemical properties of (2S) -1- (Benzyloxy) -3-Methyl-1-Oxobutan-2-Aminium 4-Methylbenzenesulfonate?
(2S) -1- (benzyloxy) -3-methyl-1-oxobutane-2-ammonium 4-methylbenzenesulfonate, an organic compound. Its physical and chemical properties are unique and have potential uses in many fields.
In terms of physical properties, this compound is usually in a solid form with a certain melting point and boiling point. Because it contains ammonium ions and benzenesulfonate ions, it may exhibit good solubility in polar solvents, such as water. The ionic bond force between ammonium ions and benzenesulfonate ions causes it to form an orderly arrangement in the crystal structure, which in turn affects its physical properties such as melting point and solubility.
In terms of chemical properties, ammonium ions can participate in acid-base reactions. When exposed to strong bases, ammonium ions release protons to generate ammonia gas and corresponding alkoxides. The sulfonic acid group in the benzenesulfonate ion is highly acidic and can act as an acidic catalyst in some chemical reactions. In addition, the benzyloxy and carbonyl groups in the molecule can also participate in specific chemical reactions, such as the deprotection reaction of benzyloxy groups, and the nucleophilic addition reaction of carbonyl groups.
This compound may have important uses in the field of organic synthesis. It can be used as an intermediate to construct more complex organic molecular structures. By performing specific chemical reactions on it, other functional groups can be introduced to prepare compounds with specific biological activities or functions. In the field of medicinal chemistry, it can be used to synthesize new drug molecules; in the field of materials science, it can help to prepare organic materials with special properties.
What is the price range of (2S) -1- (Benzyloxy) -3-Methyl-1-Oxobutan-2-Aminium 4-Methylbenzenesulfonate in the market?
(This is (2S) - 1 - (benzyloxy) - 3 - methyl - 1 - oxobutane - 2 - ammonium 4 - methylbenzene sulfonate, these chemical substances, in the range of market prices, it is difficult to say exactly. There are many reasons for its price audience, and it is difficult to generalize.)
In the past market conditions, the price of chemical substances often changed due to the abundance of raw materials, the difficulty of production methods, and the amount of demand. If the raw materials are easily available, the preparation method is simple and easy, and the market demand is not strong, the price may tend to be easy. On the contrary, if the raw materials are scarce, the way to make them is difficult, and there are many buyers, the price will increase.
However, as for (2S) -1- (benzyloxy) -3-methyl-1-oxobutane-2-ammonium-4-methylbenzene sulfonate, I do not know the wide range of raw materials, the complexity of the preparation process, and the current demand. Therefore, in order to determine the price range in the market, it is necessary to carefully observe the market conditions of chemical raw materials, interview experts in this industry, and refer to relevant transaction records to obtain a more accurate number. Only based on the current situation, it is difficult to determine the geometry of its price range.