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What is the chemical structure of (3R) -1-azabicyclo [2.2.2] octyl-3-yl (1S) -1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylate?
(3R) -1 -aminobicyclo [2.2.2] octyl-3-yl (1S) -1 -naphthyl-3,4 -dihydroisoquinoline-2 (1H) -ketoate is a complex organic compound. Its structure is composed of several parts.
Aminobicyclo [2.2.2] octane structure is a six-membered bridged ring, which is similar to a double ring connected by three bridges. It has a special spatial structure, which endows the molecule with certain rigidity and stability. (3R) indicates that this part has a specific chiral configuration, which has far-reaching effects on biological activity and chemical reaction characteristics.
(1S) -1-naphthyl-3,4-dihydroisoquinoline-2 (1H) -ketoacid moiety, naphthyl is a fused dicyclic aromatic hydrocarbon with a good electron conjugation system, which can affect molecular physical and chemical properties, such as solubility and optical properties. Dihydroisoquinoline-2 (1H) -ketoacid structure, containing nitrogen heterocycles and carbonyl groups, nitrogen atoms and carbonyl oxygen atoms can participate in hydrogen bond formation or other molecular interactions, and also play a key role in the biological activity and reactivity of compounds.
(1S) indicates the chiral central configuration of naphthyl-linked, and the abnormal chirality causes the compound to exhibit very different activities and metabolic pathways in vivo.
Overall, the unique structure of this compound makes it attractive in the fields of medicinal chemistry and organic synthetic chemistry, or has potential biological activity, and can be used as a lead compound for drug research and development; the complex structure also poses challenges for organic synthetic chemists, requiring delicate synthetic strategies to construct.
What are the physical properties of (3R) -1-azabicyclo [2.2.2] octyl-3-yl (1S) -1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylate?
(3R) -1-azabicyclo [2.2.2] octyl-3-yl (1S) -1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylate is an organic compound. Its physical properties are as follows:
Under normal conditions, it may be white to off-white crystalline powder, which is a common appearance of many such organic compounds, with fine texture and a sense of visual purity.
It is related to the melting point, which has been strictly determined, or in a specific temperature range. This temperature range is critical for identification and purity determination, and can help researchers accurately define its material properties.
In terms of solubility, in organic solvents, such as common ethanol and dichloromethane, it exhibits a certain solubility, but it has little solubility in water. This characteristic is due to its molecular structure, containing hydrophobic groups, resulting in poor hydrophilicity. It can be miscible with organic solvents through intermolecular forces. It needs to be carefully considered in organic synthesis, purification and preparation.
Density is also an important physical property. After precise measurement, specific values can be obtained. This value reflects the compactness of the substance, which is of great significance for storage, transportation and process design.
In addition, it has certain stability and can maintain its own structure and properties under conventional environmental conditions, such as room temperature and pressure, dry air atmosphere. In case of extreme conditions such as high temperature, strong acid and alkali, or cause chemical reactions to cause structural changes. This stability needs to be paid attention to during storage and use to ensure its quality and efficacy.
What are the synthetic methods of (3R) -1-azabicyclo [2.2.2] octyl-3-yl (1S) -1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylate?
Now there are methods for the synthesis of (3R) -1 -aminobicyclo [2.2.2] octyl-3-yl (1S) -1 -naphthyl-3,4 -dihydroisoquinoline-2 (1H) -ketoate, which I will describe in detail.
To synthesize this compound, you can first take an appropriate starting material. Take a compound containing a specific substituent as the base and react in several steps to obtain the target product.
One method is to first undergo a nucleophilic substitution reaction, so that the specific atom in the starting material is combined with the nucleophilic reagent to build the basic skeleton of the molecule. This step requires selecting suitable reaction conditions, such as solvent, temperature and catalyst, in order to make the reaction proceed smoothly and increase the yield.
Next, a cyclization reaction can be carried out. The key step is to use intra-molecular interactions to form a ring-like molecule to form a double-ring structure. During the reaction, attention should be paid to the selectivity of the reaction to ensure the formation of the desired cyclization product.
In addition, oxidation or reduction steps may also be indispensable. Through such reactions, the oxidation state of a specific functional group in the molecule is adjusted to meet the structural requirements of the target product.
During the synthesis process, the purification step is also crucial. Impurities can be removed by means of recrystallization and column chromatography to obtain a purified product. In conclusion, the synthesis of (3R) -1 -aminobicyclo [2.2.2] octyl-3-yl (1S) -1 -naphthyl-3,4 -dihydroisoquinoline-2 (1H) -ketoate requires a multi-step carefully designed reaction, and attention is paid to the control of the reaction conditions and the purification of the product in each step.
What are the application fields of (3R) -1-azabicyclo [2.2.2] octyl-3-yl (1S) -1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylate?
(3R) -1 -aminobicyclo [2.2.2] octyl-3-yl, and (1S) -1 -phenyl-3,4 -dihydroisoincense-2 (1H) -keto esters have applications in many reaction fields.
In the field of organic synthesis, the two can participate in the construction of complex nitrogen-containing and oxygen-containing heterocyclic systems. Due to its unique structure, the nitrogen atom and rigid bicyclic structure in (3R) -1 -aminobicyclic [2.2.2] octyl-3-group can provide a specific space environment and electronic effects for the reaction; (1S) -1 -phenyl-3,4 -dihydroisoincense-2 (1H) -keto esters The benzene ring and ester group structures can interact with the former through reactions such as nucleophilic substitution and electrophilic addition to achieve the formation of new chemical bonds and construct the skeleton of compounds with potential biological activities.
In the field of medicinal chemistry, they are often used as key intermediates. ( The basic nitrogen atom of 3R) -1-aminobicyclo [2.2.2] octyl-3-yl helps to form hydrogen bonds or electrostatic interactions with biological targets; the structure of (1S) -1-phenyl-3,4-dihydroisoberyl-2 (1H) -keto esters can enhance the lipid solubility of compounds and facilitate drug transmembrane transport. The derivatives prepared by the combination of the two are expected to exhibit various biological activities such as antibacterial and anti-tumor, laying the foundation for the development of new drugs.
In the field of materials science, polymers or composites based on (3R) -1 -aminobicyclo [2.2.2] octyl-3-yl and (1S) -1 -phenyl-3,4 -dihydroisoberyl-2 (1H) -ketone esters may exhibit special optical, electrical or mechanical properties due to their unique structures, which may lead to applications in optoelectronic devices, high-performance materials and other fields.
What are the safety and toxicity of (3R) -1-azabicyclo [2.2.2] octyl-3-yl (1S) -1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylate?
Nowadays, there are (3R) -1 -aminobicyclo [2.2.2] octyl-3-yl, (1S) -1 -phenyl-3,4 -dihydroisocoumarin-2 (1H) -ketone. The safety and toxicity of these two compounds are of great significance.
(3R) -1 -aminobicyclo [2.2.2] octyl-3-yl has a unique structure and may have special activities in many chemical reactions and biological processes. However, its safety needs to be carefully examined. If it enters organisms or interacts with various biological macromolecules. In terms of toxicity, it may vary depending on the dose, duration of action and target of action. If the dose is too high, it may interfere with the normal metabolism of cells, affect the activity of enzymes, cause cell dysfunction, and even cause apoptosis.
(1S) -1-phenyl-3,4-dihydroisocoumarin-2 (1H) -one, containing phenyl and isocoumarin structures, which are commonly found in many natural products and drugs. Its safety also needs to be fully considered, how stable it is in the environment, and whether it will degrade and produce more toxic products. In terms of toxicity, it may have targeted toxicity to specific organs or cell lines, such as affecting the metabolic function of the liver, or interfering with the signaling of the nervous system.
To clarify the safety and toxicity of these two substances, multiple methods need to be used. When based on experiments, in vitro cell experiments, observe its effects on the growth, proliferation and apoptosis of different cell lines; in vivo animal experiments, observe its effects on the overall physiological function and organ function. It is also necessary to use theoretical calculations to analyze its binding mode with biological macromolecules and estimate the potential toxicity check point. In this way, the safety and toxicity of the two substances can be known in detail, providing a solid basis for their rational application and risk prevention and control.