Chemical Formula | C37H53N3O5S |
Molecular Weight | 649.904 g/mol |
Physical State | Solid (predicted) |
Solubility In Water | Low (predicted due to non - polar groups) |
Solubility In Organic Solvents | Likely soluble in non - polar and some polar organic solvents (e.g., dichloromethane, DMSO) |
Logp | High (predicted, due to long carbon chains and phenyl group) |
Functional Groups | Tert - butyl group, amide groups, hydroxy groups, benzoyl group, phenylsulfanyl group |
What is the chemical structure of (3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylsulfanyl) butyl] decahydroisoquinoline-3-carboxamide?
This is the naming of an organic compound, following the "Nomenclature Principles of Organic Chemistry". To know its chemical structure, this naming needs to be disassembled and analyzed. " (3S, 4aS, 8aS) -N - tert - butyl - 2 - [ (2R, 3R) -2 - hydroxy - 3 - [ (3 - hydroxy - 2 - methylbenzoyl) amino] -4 - (phenylsulfanyl) butyl] decahydroisoquinoline - 3 - carboxamide" In "decahydroisoquinoline" is the decahydroisoquinoline parent nucleus, "3 - carboxamide" indicates that the parent nucleus has a formamide group at the 3rd position. " N - tert - butyl "means that the nitrogen atom of the formamide group is connected to the tert-butyl group." 2 - [ (2R, 3R) -2 - hydroxy - 3 - [ (3 - hydroxy - 2 - methylbenzoyl) amino] -4 - (phenylsulfanyl) butyl] "means that the parent nucleus is connected to a specific butyl side chain at 2 positions. In the butyl side chain, (2R, 3R) is a chiral carbon configuration, with a hydroxyl group at the 2nd position and a [ (3-hydroxy-2-methylbenzoyl) amino] group at the 3rd position, which is a 3-hydroxy-2-methylbenzoyl group connected to an amino group, and a phenylthio group at the 4th position. In this way, the chemical structure of this compound is understood. It is composed of a decahydroisoquinoline parent nucleus, combined with specific substitutions based on different positions, and each substituent gives the compound unique chemical properties and reactivity.
What are the physical properties of (3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylsulfanyl) butyl] decahydroisoquinoline-3-carboxamide?
(3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylthio) butyl] decahydroisoquinoline-3-formamide, this is an organic compound. Its physical properties are quite critical, and it is related to its application in various scenarios.
Looking at its properties, under normal temperature and pressure, this compound is mostly solid, but the specific crystal form may vary depending on the preparation conditions. Its melting point is an important feature. The melting point of samples with different purity fluctuates slightly, roughly falling within a specific temperature range. This temperature range is of great significance for its separation, purification and identification.
In terms of solubility, in organic solvents, such as common ethanol, dichloromethane, etc., the compound exhibits a certain solubility, but little solubility in water. This property affects its choice of chemical reaction medium and subsequent separation operations.
In addition, its density is also an important physical parameter. Although the exact value needs to be accurately determined experimentally, it can be roughly inferred based on the structure and properties of similar compounds. Density information is related to its storage and transportation, and is also of great significance for fluid dynamics studies involving the substance.
In addition, the stability of the compound is also closely related to its physical properties. Under normal environmental conditions, without the influence of special chemical substances or extreme physical conditions, this compound is relatively stable. In case of high temperature, strong oxidants, etc., or cause structural changes, which in turn affect its physical properties.
In short, (3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylthio) butyl] decahydroisoquinoline-3-formamide The physical properties of (3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylthio) butyl] decahydroisoquinoline-3-formamide play a decisive role in its chemical research and practical application from its properties, melting
What are the main uses of (3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylsulfanyl) butyl] decahydroisoquinoline-3-carboxamide?
(3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylthio) butyl] decahydroisoquinoline-3-formamide, this is a complex organic compound. However, its use is rarely described in detail in ancient books, so try to speculate today.
Looking at its structure, it contains many special functional groups, or it has a wonderful effect in the field of medicine. Or it can be used as a targeted drug to precisely act on specific targets in the body to treat intractable diseases. Its complex structure may be able to cleverly combine with key proteins and enzymes in the body to correct abnormal physiological processes and return the body to health.
Furthermore, in the field of materials science, it may have unique properties. For example, due to its special chemical structure, it can be used as a monomer of high-performance polymers. After polymerization, the resulting materials may have excellent mechanical properties and thermal stability, and are suitable for aerospace, high-end electronic equipment and other fields that require strict materials.
Or in the process of organic synthesis chemistry, it can be used as an important intermediate. With its rich functional groups, many novel organic compounds can be derived, opening up new paths for organic synthesis and helping to create more substances with unique functions.
Although it is difficult to determine its exact use, it is speculated based on its structural characteristics that it may hold unlimited potential in the fields of medicine, materials, organic synthesis, etc. It will be further explored by later generations to develop its extraordinary use.
What are the synthesis methods of (3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylsulfanyl) butyl] decahydroisoquinoline-3-carboxamide?
To prepare (3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylthio) butyl] decahydroisoquinoline-3-formamide, there are many methods, each has its own advantages and disadvantages, and needs to be selected according to the actual situation.
First, it can be synthesized from key intermediates through multi-step reaction. First, the appropriate raw materials are taken, and the intermediate product containing a specific structure is obtained through condensation reaction. This step requires controlling the reaction conditions, such as temperature, pH and reaction time, to increase the reaction yield and selectivity. Then, through a series of reactions such as reduction and substitution, the target molecular skeleton is gradually constructed. During reduction, the appropriate reducing agent and reaction conditions are selected to ensure accurate reduction check points and no side reactions. In the substitution reaction, the substitution reagent with activity adaptation is selected to make the substitution position accurate.
Second, a bionic synthesis strategy can also be adopted. Simulate the synthesis path in vivo and use enzymes or biologically active substances to catalyze the reaction. This route has mild conditions and high selectivity, but the acquisition and immobilization of enzymes may increase costs and technical difficulties. Select enzymes with high activity and selectivity to optimize the enzyme catalytic reaction conditions, such as temperature, pH value and substrate concentration, to promote the efficient progress of the reaction.
Furthermore, organometallic catalytic synthesis is also an optional method. With the unique activity and selectivity of organometallic catalysts, the formation of carbon-carbon and carbon-heteroatom bonds is promoted. Choose the right organometallic catalysts and ligands to optimize the catalytic reaction conditions and improve the reaction efficiency and yield. However, organometallic catalysts may be expensive and environmentally sensitive, and need to be properly handled.
In conclusion, the synthesis of (3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylthio) butyl] decahydroisoquinoline-3-formamide requires comprehensive consideration of factors such as raw material availability, cost, reaction conditions and yield. After repeated tests and optimization, the optimal synthesis route is found.
(3S, 4aS, 8aS) -N-tert-butyl-2- [ (2R, 3R) -2-hydroxy-3- [ (3-hydroxy-2-methylbenzoyl) amino] -4- (phenylsulfanyl) butyl] decahydroisoquinoline-3-carboxamide What is the price range in the market?
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