Chemical Formula | C30H26F2N4O6 |
Molecular Weight | 574.55 |
Iupac Name | (4R,12aS)-7-Benzyloxy-N-[(2,4-difluorophenyl)methyl]-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide |
Chirality | Chiral, (4R,12aS) configuration |
Functional Groups | Amide, Oxazine, Pyrido - pyrazino ring system, Benzyloxy, Difluorophenylmethyl |
Physical State | Solid (predicted based on structure complexity and functional groups) |
Solubility | Low solubility in water, likely soluble in organic solvents like DMSO, chloroform (predicted) |
Chemical Name | (4R,12aS)-7-Benzyloxy-N-[(2,4-difluorophenyl)methyl]-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide |
Chemical Formula | C30H26F2N6O6 |
Molecular Weight | 604.56 g/mol |
Iupac Name | (4R,12aS)-7-Benzyloxy-N-[(2,4-difluorophenyl)methyl]-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide |
Chemical Name | (4R,12aS)-7-Benzyloxy-N-[(2,4-difluorophenyl)methyl]-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide |
Molecular Formula | C27H25F2N5O6 |
Molecular Weight | 553.52 g/mol |
Physical State | Solid (presumably, based on common organic compounds of this nature) |
Appearance | Unknown, but likely a white to off - white powder (common for organic solids) |
Solubility | Solubility in water: Likely low (due to its non - polar aromatic and large organic structure); Solubility in organic solvents: Likely soluble in common organic solvents like dichloromethane, chloroform based on its structure |
Logp | Presumably positive (due to its hydrophobic aromatic and alkyl groups, indicating lipophilicity) |
What is the chemical structure of the compound (4R, 12aS) -7-Benzyloxy-N- [ (2,4-difluorophenyl) methyl] -4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ', 2': 4,5] pyrazino [2,1-b] [1,3] oxazine-9-carboxamide?
Alas! It is not easy to know the chemical structure of (4R, 12aS) -7-benzyloxy-N-[ (2,4-difluorophenyl) methyl] -4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyridino [1 ′, 2 ′: 4,5] pyrazino [2,1-b] [1,3] oxazine-9-formamide. This is a fine and complex compound in the field of organic chemistry.
Looking at its name, (4R, 12aS) shows its stereochemical configuration, which is related to the characteristics of molecular spatial arrangement. 7-Benzyloxy is a benzyloxy group attached to the 7th position of the molecular backbone. Benzyloxy is formed by connecting benzyl to oxygen. Benzyl is benzyl and has an aromatic hydrocarbon structure. N - [ (2,4-difluorophenyl) methyl], indicating that the nitrogen atom is connected to (2,4-difluorophenyl) methyl, and the 2,4-difluorophenyl is the structure in which the 2nd and 4th positions of the benzene ring are replaced by fluorine atoms, and then connected to methyl. 4-methyl is the main chain with methyl at the 4th position. 6,8-dioxo means that the molecule is carbonyl (oxo) at the 6th and 8th positions. 3,4,6,8,12,12A-hexahydro indicates that a specific location in the molecule undergoes six hydrogenation processes, resulting in the saturation of the corresponding unsaturated bonds. 2H-pyridino [1 ′, 2 ′: 4,5] pyrazino [2,1 - b] [1,3] oxazine-9-formamide, revealing that this compound is fused from heterocyclic systems such as pyridine, pyrazine, and oxazine, and has formamide groups at the 9th position.
In summary, this compound has a complex structure. It is composed of a variety of specific groups and heterocyclic systems in a specific order and three-dimensional configuration. It is like a delicate ancient building. Each part is interdependent and coforms a unique chemical structure.
What are the main uses of the compound (4R, 12aS) -7-Benzyloxy-N- [ (2,4-difluorophenyl) methyl] -4-methyl-6,8, -dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ', 2': 4,5] pyrazino [2,1-b] [1,3] oxazine-9-carboxamide?
(4R, 12aS) - 7 - benzyloxy - N - [ (2,4 - difluorophenyl) methyl] - 4 - methyl - 6,8 - dioxo - 3,4,6,8,12,12a - hexahydro - 2H - pyridino [1 ′, 2 ′: 4,5] pyrazino [2,1 - b] [1,3] oxazine - 9 - formamide This compound has a wide range of uses. In the field of medicine, it is often used as a key active ingredient in the development of new drugs. Due to its unique chemical structure, it may exhibit significant therapeutic effects on specific diseases, such as for some intractable diseases, it can precisely act on diseased cells, inhibit their abnormal proliferation, and then provide a new way for disease treatment.
At the level of scientific research and exploration, this compound is also an important research object. Scientists use it to deeply explore the relevant chemical reaction mechanism, clarify the interaction law between substances, and contribute to the expansion and deepening of chemical theory. By studying its reaction characteristics with other substances, novel chemical phenomena may be discovered, leading to innovative synthesis methods and promoting the development of organic synthetic chemistry.
In the field of materials science, this compound may also play an important role. Its special properties may be used to prepare materials with special properties, such as those with unique optical, electrical, or mechanical properties, thus meeting the needs of different fields for special materials and assisting the progress of high-tech industries.
The compound (4R, 12aS) -7-Benzyloxy-N- [ (2,4-difluorophenyl) methyl] -4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ', 2': 4,5] pyrazino [2,1-b] [1,3] What is the method for synthesizing oxazine-9-carboxamide?
(4R, 12aS) - 7 - benzyloxy - N - [ (2,4 - difluorophenyl) methyl] - 4 - methyl - 6,8 - dioxo - 3,4,6,8,12,12a - hexahydro - 2H - pyridino [1 ′, 2 ′: 4,5] pyrazino [2,1 - b] [1,3] oxazine - 9 - formamide The method of synthesis of this compound requires much research in the way of chemical synthesis.
To form this compound, it is first necessary to choose a suitable starting material. Usually start with related derivatives containing pyridine, pyrazine and oxazine structures. Benzyl halide is selected to react with a substrate with active hydrogen to introduce benzoxy groups. This step needs to be carried out in a suitable base and solvent environment. The strength of the base and the polarity of the solvent are all related to the rate and yield of the reaction.
When introducing a difluorophenyl methyl group, 2,4-difluorobenzyl halide is often reacted with a nitrogen-containing nucleophilic reagent. This reaction requires careful control of reaction conditions, such as temperature and reaction time. If the temperature is too high, it may cause side reactions to occur and the yield will be reduced; if the time is too short, the reaction may be incomplete.
A thick ring system of hexahydropyridine-pyrazine-oxazine is constructed, which is achieved by multi-step cyclization reaction. Or by means of nucleophilic substitution and condensation in molecules, each ring system can be cleverly constructed. Each step of cyclization requires careful consideration of the reaction activity check point and reaction conditions.
During the synthesis process, the purification step is also indispensable. Impurities can be removed by means of column chromatography, recrystallization, etc., to improve the purity of the product. The intermediate products of each step of the reaction also need to be strictly characterized to confirm the structure and purity in order to ensure the quality of the final product. In this way, the (4R, 12aS) -7-benzyloxy-N - [ (2,4-difluorophenyl) methyl] -4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyridino [1 ′, 2 ′: 4,5] pyrizino [2,1-b] [1,3] oxazine-9-formamide compound can be obtained through multiple delicate reaction operations and strict control.
What are the physicochemical properties of the compound (4R, 12aS) -7-Benzyloxy-N- [ (2,4-difluorophenyl) methyl] -4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ', 2': 4,5] pyrazino [2,1-b] [1,3] oxazine-9-carboxamide?
The physicochemical properties of this compound ((4R, 12aS) -7-benzyloxy-N- [ (2,4-difluorophenyl) methyl] -4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyridino [1 ', 2': 4,5] pyrazino [2,1-b] [1,3] oxazine-9-formamide) are quite complex and delicate.
Looking at its properties, it may be a white to off-white solid powder at room temperature. Due to the arrangement and combination of atoms and groups in its molecular structure, the intermolecular forces present a specific pattern, which determines its aggregation state. < Br >
When it comes to solubility, because it has both polar and non-polar groups in the molecule, it may exhibit a certain solubility in organic solvents such as dichloromethane, N, N-dimethylformamide. Polar carboxylamide groups, oxazine rings, etc. can interact with polar organic solvents to form hydrogen bonds; while the non-polar parts of benzyl and difluorophenyl groups are compatible with non-polar organic solvents. However, in water, its solubility may be limited, because the hydrophobic part of the whole molecule has a greater impact.
In terms of melting point, it is determined by intermolecular forces and crystal structure. Interactions such as hydrogen bonds and van der Waals forces between molecules endow crystals with certain stability. To make its lattice disintegrate, a specific temperature is required, and its melting point is expected to be in a specific range, which is determined by the rigidity, symmetry and interaction strength of the molecular structure.
As for chemical stability, the benzyloxy group, amide bond and other parts of the molecule may exhibit different reactivity under specific conditions. Benzyloxy may undergo substitution reactions under appropriate nucleophiles or acidic conditions; amide bonds may also be hydrolyzed in strong acid and strong base environments. However, in conventional environments, if there is no specific reagent or condition excitation, the compound may remain relatively stable. Its physical and chemical properties are determined by the internal structure of the molecule, and each part interacts to form the unique chemical properties.
What is the market outlook for the compound (4R, 12aS) -7-Benzyloxy-N- [ (2,4-difluorophenyl) methyl] -4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1 ', 2': 4,5] pyrazino [2,1-b] [1,3] oxazine-9-carboxamide?
There is a product called\ ((4R, 12aS) -7-benzyloxy-N - [ (2,4-difluorophenyl) methyl] -4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyridino [1 ', 2': 4,5] pyrazino [2,1-b] [1,3] oxazine-9-formamide\). The prospect of this product in the market is quite popular.
The current market, the field of pharmaceutical research and development, is making rapid progress. Many pharmaceutical companies and researchers have dedicated their efforts to the creation of innovative drugs. Due to its unique chemical structure, this compound contains potential medicinal value, which may open up a way for the development of new drugs.
At the end of the research and development of anti-cancer drugs, many studies have focused on compounds with novel mechanisms of action. The structural characteristics of this compound may inhibit the growth and proliferation of specific cancer cells. Over time, if its pharmacological mechanism can be deeply explored and its pharmacokinetic properties optimized, it may become an important candidate for the development of new anti-cancer drugs.
Furthermore, there is also a broad space for drug development in the field of nervous system diseases. Some heterocyclic compounds with specific structures have shown potential therapeutic effects on neurological diseases. The pyrazine-oxazine structure of this compound may interact with specific targets of the nervous system, providing a new strategy for the treatment of neurological diseases.
However, although the market prospect has potential, there are also challenges. The road to drug development is long and arduous. From the discovery of the compound, to pre-clinical research, clinical trials, and finally approval for marketing, it needs to go through many tests. And the market competition is fierce, and many pharmaceutical companies are chasing the heights of innovative drugs. To make this compound stand out in the market, not only solid scientific research strength, but also precise market strategies and efficient research and development processes are required.
In summary,\ ((4R, 12aS) -7 -benzyloxy-N - [ (2,4 -difluorophenyl) methyl] -4 -methyl-6,8 -dioxo - 3,4,6,8,12,12a -hexahydro-2H -pyridino [1 ', 2': 4,5] pyrazino [2,1 - b] [1,3] oxazine-9 -formamide\) in the market prospects, opportunities and challenges coexist, and its future development depends on the joint efforts of scientific research and the market.