What is the chemical structure of (4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (trifluoromethyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetrahydro-1H-indo [5,4-f] quinoline-7-formamide?
This is a problem of an organic compound. Find the chemical structure of (4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (tri-tert-butyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetradecahydro-1H-indo [5,4-f] pyran-7-formamide.
Looking at this naming, according to the method of "Tiangongkai", it should be deconstructed by name. " (4aR, 6aS, 7S, 9aS, 9bS, 11aR) " This is the configuration identification of chiral carbon, which is arranged in atomic space. " N- [2,5-Bis (tri-tert-butyl) phenyl] "shows that the nitrogen atom is attached to a specific phenyl group, and the 2,5 positions of the phenyl group have tri-tert-butyl." 4a, 6a-dimethyl "Table 4a and 6a have methyl substitutions." 2-oxo "says that there is a carbonyl group in the 2 position." 2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetrahydro-1H-indo [5,4-f] pyran "describes its parent nuclear structure, which is a tetradecahydro-containing indo-pyran structure." 7-formamide "refers to a 7-position formamide group.
In general, the chemical structure of the compound can be gradually drawn based on this. The prolidinopyran parent nucleus is placed in the space of the atom according to the chiral configuration, and then methyl, carbonyl, tri-tert-butylphenyl and formamide groups are added to the corresponding check points to obtain the desired chemical structure.
What are the physical properties of (4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (trifluoromethyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetrahydro-1H-indo [5,4-f] quinoline-7-formamide?
(4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N - [2,5-bis (triethylphenyl) phenyl] -4a, 6a-diethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetradecyl-1H-indeno [5,4-f] pyran-7-acetaldehyde This substance has numeric physical properties. Its morphology may be crystalline, and it is easy to form a regular lattice due to the orderly arrangement of atoms in the molecular structure and stable intermolecular forces.
Looking at its solubility, because the molecule contains many alkyl groups, it has a certain hydrophobicity, and the solubility in water is quite low, but it is soluble in common organic solvents, such as chloroform, dichloromethane, etc. This is due to the principle of "similar phase dissolution". The force between the organic solvent and the compound is similar and miscible.
Talking about the melting point, due to the complex molecular structure, diverse interactions between atoms, containing a variety of chemical bonds and groups, the intermolecular force is strong, and the melting point is expected to be high. However, the specific value needs to be accurately determined by experiments, and the melting point will be affected due to differences in impurities and experimental conditions.
The density of this compound is related to the molecular weight and the degree of molecular packing. Its structure is complex, and the molecular weight is large. If the molecular packing is close, the density is large. However, the exact value needs to be measured experimentally.
Its physical properties are of great significance for its application in chemical synthesis, materials science and other fields. For organic synthesis, solubility helps to select the appropriate reaction solvent, so that the reaction can proceed smoothly; melting point, density and other properties provide important references for separation, purification and quality control.
What is the synthesis method of (4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (trifluoromethyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetrahydro-1H-indo [5,4-f] quinoline-7-formamide?
To obtain (4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (tri-tert-butyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetradecyl-1H-indeno [5,4-f] pyran-7-acetic acid, the following steps are required.
First, the basic structure of indeno [5,4-f] pyran is constructed with suitable starting materials and ingenious reaction design. Aromatic hydrocarbons and ketenes containing appropriate substituents can be selected, and under specific catalyst and reaction conditions, the [4 + 2] cycloaddition reaction can be performed to construct the core six-membered ring and five-membered ring structures. This step requires precise regulation of the reaction temperature, time and catalyst dosage to ensure the high efficiency and selectivity of the reaction.
Then, on top of the obtained intermediate, a dimethyl substituent is introduced. Halogenated methane can be selected as the methylation reagent, and nucleophilic substitution is performed in the presence of a base. The strength and dosage of the base, and the choice of the reaction solvent, all have a great impact on the reaction process.
Furthermore, an oxo group is introduced to construct a 2-oxo structure. It can be achieved by oxidation reaction. If a suitable oxidant is selected, such as Jones reagent or Dice-Martin oxidant, in a suitable reaction system, the hydroxyl group at a specific position is oxidized to a carbonyl group.
As for the introduction of N- [2,5-bis (tri-tert-butyl) phenyl], it can be achieved by arylation reaction. A halogenated aromatic hydrocarbon containing tri-tert-butyl and an amino-containing intermediate, catalyzed by palladium, undergoes a coupling reaction to cleverly connect the aryl group with large resistance.
Finally, the acetic acid side chain is introduced. Acetic acid groups can be precisely connected at the target position through a series of operations such as esterification reaction and hydrolysis reaction. The
synthesis process requires fine control of the reaction conditions at each step, and proper handling of the separation and purification of intermediates in order to obtain this target product.
(4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (trifluoromethyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetrahydro-1H-indo [5,4-f] quinoline-7-formamide In what fields are they used?
(4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (tri-tert-butyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5, 6, 6a, 7, 8, 9, 9a, 9b, 10, 11, 11a-tetradecyl-1H-indeno [5, 4-f] pyran-7-formamide This compound has applications in medicine, materials science and other fields.
In the field of medicine, due to its specific chemical structure, it may interact with specific targets in organisms. It is like an ancient delicate mechanism that fits a specific tenon and mortise to operate. It may be used as a potential drug to treat specific diseases. For example, it may play a therapeutic role in some inflammatory diseases and tumor diseases by regulating related signaling pathways.
In the field of materials science, this compound may be endowed with unique photoelectric properties due to its structure. Just like the ancients cleverly used material properties to create rare treasures. It may be used to prepare special optical materials, such as in organic Light Emitting Diodes (OLEDs), light sensors, etc., with unique light absorption and emission characteristics to improve material properties.
Or in the field of catalysis, its structural characteristics may allow it to act as a catalyst or catalytic aid. Just like ancient alchemists used special agents to catalyze reactions, this compound may accelerate the process of specific chemical reactions, improve reaction efficiency and selectivity, and play a role in organic synthesis and other fields.
(4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (trifluoromethyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetrahydro-1H-indo [5,4-f] quinoline-7-formamide What is the market prospect?
Looking at this (4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N- [2,5-bis (tri-tert-butyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetradecyl-1H-naphthalene-pyran-7-formamide market prospects, just like exploring the future situation of a strange thing.
This object has a unique structure and seems to be hidden in the universe. It is based on a specific configuration of (4aR, 6aS, 7S, 9aS, 9bS, 11aR), attached to N - [2,5-bis (tri-tert-butyl) phenyl] and a series of substituents, and has an exquisite structure. From the perspective of the current development of various things, if it is used in the field of medicine, it may have wonderful uses. The way of medicine is to seek precise treatment. The unique structure of this compound may be able to fit with specific targets, such as keys and locks, opening up a new way to treat difficult diseases.
In the field of materials, it is also possible. Today's materials pursue specific properties, and this structure may endow materials with unique optical, electrical or mechanical characteristics. If it can be well crafted to make its characteristics stand out, it will surely emerge in the forest of materials.
However, its market prospects are not smooth. The difficulty of synthesis is like climbing a cliff. To obtain this delicate structure requires exquisite skills and complicated steps, and the cost may remain high. And it will take time for the market to accept it. Everyone is always cautious about new things, and they must wait for their performance and safety to be proven correct before they dare to use them.
To sum up, (4aR, 6aS, 7S, 9aS, 9bS, 11aR) -N - [2,5-Bis (tri-tert-butyl) phenyl] -4a, 6a-dimethyl-2-oxo-2,4a, 4b, 5,6,6a, 7,8,9,9a, 9b, 10,11,11a-tetradecyl-1H-naphthalene and [5,4-f] pyran-7-formamide has a bright and dark future. If we can break the dilemma of synthesis and solve the doubts of the market, we will be able to shine brightly and leave a unique mark on the world.