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What is the chemical structure of this product (Sodium (2S, 3S) -3- (Benzyloxycarbonylamino) -2-Methyl-4-Oxo-Azetidine-1-Sulfonate; 1-Azetidi; Sodium (2; Logp))?
This is the chemical of (2S, 3S) -3- (benzyloxycarbonyamino) -2-methyl-4-oxoazobutane-1-sodium sulfonate. Looking at its name, it is composed of many parts to illustrate its structural characteristics.
" (2S, 3S) " indicates the three-dimensional configuration of a specific carbon atom in a molecule, which is an important indicator of the spatial arrangement of atoms. " 3 - (benzyloxycarbonyl amino) ", which means that the 3-position of azacyclobutane is connected to the benzyloxycarbonyl amino group. This group is composed of benzyl, oxygen, carbonyl and amino groups, which affect the reactivity and properties of molecules." 2-methyl "indicates that there is a methyl substitution at the 2-position, and the presence of methyl groups can change the physical and chemical properties of compounds." 4-oxygen "refers to the 4-position carbonyl group. Carbonyl is a functional group with strong reactivity and often plays a key role in chemical reactions." Sodium azacyclobutane-1-sulfonate ", indicating that the core of the compound is an azacyclobutane ring, and there is a sulfonic acid group at the first position, and then forms a salt with sodium ions.
As a whole, the chemical structure of this compound is cleverly combined by various parts, and the groups interact with each other, giving it unique chemical and physical properties, and may have specific uses in the fields of organic synthesis and medicinal chemistry.
What are the main uses of this product (Sodium (2S, 3S) -3- (Benzyloxycarbonylamino) -2-Methyl-4-Oxo-Azetidine-1-Sulfonate; 1-Azetidi; Sodium (2; Logp))?
(What are the main uses of this product ((2S, 3S) -3- (benzyloxycarbonylamino) -2-methyl-4-oxo-azoobutane-1-sulfonate sodium; 1-azoobutyl; sodium (2; Logp))
This is a compound with many characteristics, which has shown important uses in many fields. In the field of medicinal chemistry, it may be used as a key intermediate to synthesize drug molecules with specific biological activities. The structure of azoobutane is the core framework of many drugs, which can endow drugs with unique spatial configuration and physicochemical properties, help them achieve precise fit with biological targets, and then exert pharmacological effects.
In the field of organic synthetic chemistry, this compound can serve as a multi-functional synthetic building block. A variety of active groups in its molecule, such as benzyloxycarbonyl amino group and sodium sulfonate group, can be transformed and modified through various organic reactions, providing the possibility for the construction of complex organic molecular structures. Chemists can use these active check points to introduce other functional groups by ingeniously designing reaction routes to expand the structural diversity of molecules.
In the field of materials science, it may be used to prepare functional materials. For example, by virtue of the hydrophilicity of sodium sulfonate group, combined with the rigid structure of azacyclobutane, the surface properties, solubility and mechanical properties of materials can be regulated. If it is introduced into polymer materials, it may endow the materials with special adsorption, separation or catalytic properties, thus finding a place in the fields of membrane materials and adsorbents.
How is this product (Sodium (2S, 3S) -3- (Benzyloxycarbonylamino) -2-Methyl-4-Oxo-Azetidine-1-Sulfonate; 1-Azetidi; Sodium (2; Logp)) prepared?
To prepare (2S, 3S) - 3 - (benzyloxycarbonyl amino) - 2 - methyl - 4 - oxo-azobutane - 1 - sodium sulfonate, the method is as follows:
First take an appropriate amount of starting material, this raw material should have the necessary structural fragments to construct the target molecule. React with benzyloxycarbonyl reagents and related substrates containing amino groups. This step requires the selection of suitable reaction solvents, such as dichloromethane and other inert organic solvents, and proceed under mild reaction conditions, such as room temperature or slightly warming, so that the amino group can be successfully benzyloxycarbonylated to obtain the key intermediate.
Then, methyl is introduced into this intermediate. A suitable methylation reagent, such as iodomethane, can be selected, and a suitable base, such as potassium carbonate, can be used to react in an organic solvent to promote the successful connection of the methyl group to the target check point and build a specific spatial structure.
Then the above product is cyclized to form the core structure of azacyclobutane. This process may require specific catalysts or reaction conditions, such as under heating or specific catalysts, the groups in the molecule interact to form a ring to build the target azacyclobutane structure.
Finally, a sulfonic acid group is introduced into the cyclization product and forms a sodium salt. Appropriate sulfonating reagents can be selected. After the reaction is completed, it is treated with sodium hydroxide and other bases to convert it into the final desired (2S, 3S) -3- (benzyloxycarbonylamino) -2-methyl-4-oxo-azacyclobutane-1-sodium sulfonate. After each step of the reaction, it needs to be separated and purified to ensure the purity and quality of the product and obtain a pure target product.
What does the Logp value for this product (Sodium (2S, 3S) -3- (Benzyloxycarbonylamino) -2-Methyl-4-Oxo-Azetidine-1-Sulfonate; 1-Azetidi; Sodium (2; Logp)) mean?
The Logp value of this compound ((2S, 3S) -3- (benzyloxycarbonylamino) -2-methyl-4-oxazobutane-1-sulfonate sodium; 1-acridine; (2; Logp) sodium), which means the lipid-water partition coefficient. It reflects the distribution of the compound between the lipid phase and the aqueous phase. If the Logp value is positive, it indicates that the compound is more likely to be allocated to the lipid phase, that is, it has good lipophilicity; if the Logp value is negative, it means that it is more likely to remain in the aqueous phase and has strong hydrophilicity.
Knowing the Logp value of this compound is of great significance. In the field of drug development, it is closely related to the absorption, distribution, metabolism and excretion of drugs. Drugs with suitable lipophilicity are easier to penetrate the biofilm and achieve transmembrane transport, which plays a key role in whether the drug can reach the target of action smoothly. If the lipophilicity is too strong, the drug may accumulate in the body and cause adverse reactions; if the hydrophilicity is too strong, it may be difficult to cross the cell membrane and affect the efficacy of the drug. Therefore, accurately grasping the Logp value of the compound will help to deeply understand its behavioral characteristics in vivo, provide a key basis for subsequent drug design and optimization, and promote the development of drug research and development in a more effective and safer direction.
What are the physical and chemical properties of this product (Sodium (2S, 3S) -3- (Benzyloxycarbonylamino) -2-Methyl-4-Oxo-Azetidine-1-Sulfonate; 1-Azetidi; Sodium (2; Logp))?
(This compound, namely (2S, 3S) -3- (benzyloxycarbonylamino) -2-methyl-4-oxo-azacyclobutane-1-sulfonate sodium, has many physical and chemical properties.) Its appearance is often white to off-white crystalline powder, which is an intuitive physical property. In terms of solubility, the compound has a certain solubility in water. Because the sodium sulfonate group is hydrophilic, it can interact with water molecules and is soluble in polar organic solvents such as methanol, ethanol, etc. However, it has little solubility in non-polar organic solvents such as n-hexane and toluene.
In terms of chemical stability, it is relatively stable under conventional conditions. However, when it encounters strong acids and bases, the chemical structure will be affected. In case of strong acid, benzyloxycarbonyl may hydrolyze, making the amino group free; in case of strong base, the azacyclobutane ring may open the ring and cause structural changes. In terms of thermal stability, it is stable within a certain temperature range. If the temperature is too high, a decomposition reaction may occur. The decomposition temperature is about 200-250 ° C, which varies depending on the purity and experimental conditions.
The compound contains nitrogen heterocyclic butane structure, benzyloxycarbonyl amino group and sodium sulfonate group. Its azacyclobutane ring has tension, which makes the compound have unique reactivity and can undergo nucleophilic substitution, ring opening and other reactions. Benzyloxycarbonyl amino group can participate in amino-related reactions, such as reacting with acid chloride to form amides. The sodium sulfonate group gives the compound certain ionic characteristics and can participate in reactions such as ion exchange.