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What is the chemical structure of [ (8R) -1-azabicyclo [2.2.2] octyl-8-yl] (1S) -1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
(8R) -1-2.2.2-octyl-8-yl, (1S) -1-phenyl-3,4-diketone-1H-phenylfuran-2-carboxylic anhydride, the chemical compound of this compound is unique. Its component, the [2.2.2] octane skeleton, forms the basic framework of the whole molecule, which is like the cornerstone of the whole molecule. The 8-position substituent and the 1-position atom have implications for the properties and reactivity of the molecule.
Furthermore, (1S) - 1 - phenyl - 3,4 - diketone - 1H - phenylfuran - 2 - carboxylic anhydride moiety, the introduction of phenyl groups, increase the hydrophobicity and aromaticity of the molecule, so that the molecule has a specific solubility and photophysical properties in some soluble molecules. 3,4 - diketone groups give molecules a certain degree of reactivity, which can be used for polymerization such as nuclear addition. 1H - phenylfuran - 2 - carboxylic anhydride, and also the typical properties of molecular anhydrides. It is particularly evident in reactions such as hydrolysis and alcoholysis.
, the chemical properties of this compound are composed of multiple characteristic groups, and each group interacts with each other, which enriches its chemical properties and anti-chemical activities. It may have important research values and power in the fields of chemical synthesis and chemical chemistry.
What are the physical properties of [ (8R) -1-azabicyclo [2.2.2] octyl-8-yl] (1S) -1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
(8R) -1 -phenyl-3,4-dioxy-1H-benzofuran-2-carboxylate has some special physical properties. Its outer surface is usually white to white crystalline powder, which is formed under normal conditions due to the orderly arrangement of molecules. From the melting point of view, the temperature is between 150 ° C and 160 ° C. The molecular force of this melting is closely related, and the interaction of the molecular force and the Vander force determines its generation at 1 ° C.
In terms of solubility, the hydrophobic compound has good solubility in common solvents such as chloroform and dichloromethane, and can be dispersed in a certain proportion. Thanks to the similar phase dissolution principle of the hydrophobic groups such as benzene contained in its molecules. However, its solubility in water is low and insoluble. Due to the hydrophobic properties of the whole molecule, the water molecule is dispersed by the force of breaking its molecules.
In terms of density, it is fixed to be 1.2-1.3 g/cm ³, and its molecular formation and crystallization methods are low. The high density of the phase reflects the dense arrangement of the molecules. In addition, its chemical properties are determined under normal conditions, but in high-end components such as high-temperature, acid, etc., it may be reversed due to the cracking of some chemical properties in the molecule, which may cause physical changes. Therefore, these physical properties are essential for studying their application in the fields of chemical synthesis, chemical research, etc.
What is the main use of [ (8R) -1-azabicyclo [2.2.2] octyl-8-yl] (1S) -1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
(8R) -1 -aminobicyclo [2.2.2] octyl-8-yl (1S) -1 -naphthyl-3,4 -dioxo-1H -isobenzofuran-2 -carboxylate, this compound has important uses in the field of organic synthesis.
First, it can be used as a key intermediate to construct complex polycyclic alkaloid natural products. In the total synthesis of natural products, it is often necessary to gradually build the carbon skeleton and functional group of the target molecule through intermediates with specific structures. ( 8R) -1 -aminobicyclo [2.2.2] octyl-8-yl (1S) -1 -naphthyl-3,4 -dioxo-1H -isobenzofuran-2 -carboxylate can provide rich check point and stereochemical control for subsequent reactions due to its unique structure of dicyclo and naphthyl, and help to achieve precise synthesis of complex natural products.
Second, in the field of medicinal chemistry, it has potential value as a structural fragment of lead compounds. The lead compound is the starting point for the development of new drugs. This compound has a unique structure and can be modified by introducing different functional groups on the naphthyl or bilicyclic structure to change its physical and chemical properties and biological activities, and then screening out new drug molecules with specific pharmacological activities and good pharmacokinetic properties, opening up new directions for drug development.
Third, in asymmetric catalytic reactions, this compound can be used as a chiral ligand or a component of the catalyst. Its chiral centers (8R) and (1S) endow molecules with a chiral environment, which can induce asymmetric transformation of substrates in catalytic reactions and generate products with specific configurations with high selectivity. It is widely used in the field of asymmetric synthesis to improve the atomic economy and stereoselectivity of the reaction.
What are the synthetic methods of [ (8R) -1-azabicyclo [2.2.2] octyl-8-yl] (1S) -1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The synthesis method of (8R) -1 -aminobicyclo [2.2.2] octyl-8-yl] (1S) -1 -benzyl-3,4 -dione-1H -isoindole-2 -carboxylic anhydride is as follows:
First, the classical organic synthesis route can be adopted. Starting from the basic raw materials, the cyclization reaction is used to construct the cyclic structure. For the (8R) -1 -aminobicyclo [2.2.2] octyl-8-yl moiety, the cyclic skeleton can be gradually constructed by nucleophilic substitution reaction of suitable amine compounds with halogenated hydrocarbons under basic conditions. In this process, attention should be paid to the control of reaction conditions, such as temperature, strength and dosage of base, etc., to ensure the selectivity and yield of the reaction.
For the (1S) -1 -benzyl-3,4 -diketone-1H -isoindole-2 -carboxylic anhydride part, the basic structure of isoindole can be formed by condensation reaction between benzaldehyde and a specific nitrogen-containing compound, and then a carbonyl group is introduced to realize the construction of diketones. When introducing carbonyl groups, suitable acylating reagents, such as acyl chloride or acid anhydride, can be selected to carry out the reaction in the presence of catalysts.
In addition, biomimetic synthesis strategies can also be tried. The process of biosynthesis of such compounds in nature is simulated, and the reaction is carried out using enzyme catalysis or similar mild conditions. This may require finding suitable biological enzymes or designing catalytic systems that mimic enzymes. The advantages are that the reaction conditions are mild and highly selective, but there may be problems such as the source, stability and cost of enzymes.
In addition, some modern organic synthesis technologies, such as microwave-assisted synthesis and photocatalytic synthesis, can also be applied to the synthesis of this compound. Microwave-assisted synthesis can speed up the reaction rate, shorten the reaction time, and may improve the selectivity of the reaction; photocatalytic synthesis can achieve some reaction steps that are difficult to achieve by traditional methods under relatively mild light conditions, providing new ways and ideas for synthesis.
What is the market price of [ (8R) -1-azabicyclo [2.2.2] octyl-8-yl] (1S) -1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
I think what you are talking about is (8R) -1 -azabicyclo [2.2.2] octyl-8 -yl, and (1S) -1 -naphthyl-3,4 -dione-1H -isosquaric acid-2 -carboxylamide. However, the price of this product in the market is difficult to determine.
The price of the goods in the world often varies for many reasons. First, the source of the material. If the raw materials are abundant and easy to obtain, the price is low; if the raw materials are rare, it is difficult to find, and the price is high. Second, the preparation is difficult and easy. If the synthesis method is simple and consumes less labor and material resources, the price is also low; if the synthesis requires delicate techniques and complicated processes, the cost will be more, and the price will be higher. Third, the supply and demand of the city. If there are many people in need and few people in supply, the price will rise; if the supply exceeds the demand, the price will fall.
Today (8R) -1 -azabicyclo [2.2.2] octyl-8 -yl, and (1S) -1 -naphthyl-3,4 -diketone-1H -isosquanoic acid-2 -carboxylamide, I do not know the production of their raw materials, the preparation is clumsy, and I do not know the supply and demand of the city. Therefore, if you want to determine the market price, you should carefully examine the source of the materials and the method of preparation, and also check the supply and demand of the city. On the whole, you can get the approximate price. Otherwise, if you say the price, you may be biased.