What is the chemical structure of [ (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-yl] methanesulfonic acid?
The chemical structure of (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-ylacetic acid is a representation of the structure of an organic compound. This structure contains the skeleton of a bicyclic [2.2.1] heptane, which is a seven-membered ring, formed by the combination of two five-membered rings with each other, just like the shape of a double-ring fastening.
In this structure, (1R, 4S) represents a specific three-dimensional configuration. "R" and "S" are markers for determining the chiral central configuration, according to the Cahn-Ingold-Prelog rule. This shows that the carbon atoms at positions 1 and 4 are arranged in a specific way, as if they were arranged in a specific space.
7,7-dimethyl means that at position 7 of the bicyclic structure, there are two methyl groups connected, just like adding two "branches" at this position. 2-oxy means that at position 2 of the bicyclic structure, oxygen atoms are embedded, and this oxygen atom changes the electron cloud distribution and chemical properties of the ring. 1-ylacetic acid means that the bicyclic structure is connected to the acetic acid group through position 1, which seems to be a "tail" attached to the bicyclic skeleton. The presence of acetic acid groups gives the compound specific chemical activity and reaction characteristics. Overall, this chemical structure has unique physical and chemical properties due to the combination of various parts, and may be of great value in organic synthesis, medicinal chemistry, and other fields. It can exhibit specific reactions and functions due to its special structure.
What are the main uses of [ (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-yl] methanesulfonic acid?
(1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-ylacetic acid, an organic compound, its main uses are as follows:
First, in the field of pharmaceutical chemistry, this compound is often used as a key intermediate. Due to its unique chemical structure, it can participate in a variety of chemical reactions, and can be converted into drug molecules with specific biological activities through clever design and synthesis path planning. For example, some studies target specific disease targets, using this intermediate to build complex drug frameworks, explore potential therapeutic drugs, lay the foundation for innovative drug development, and help develop new drugs with more efficacy and fewer side effects.
Second, in the field of materials science, it can be used to synthesize special polymer materials. By polymerizing with other monomers, its structural units are introduced into the polymer chain, giving the material unique properties, such as improving the thermal stability, mechanical properties or biocompatibility of the material. This makes the compound show potential application value in the manufacture of high-performance engineering plastics, biodegradable materials or scaffold materials for tissue engineering, and promotes the continuous innovation and development of materials science to meet the needs of different fields for special performance materials.
Third, in organic synthetic chemistry, it serves as a characteristic structural module, providing organic synthetic chemists with a powerful tool for building complex organic molecules. With its double-ring structure and functional group characteristics, it can participate in a variety of classical organic reactions, such as nucleophilic substitution, addition reactions, etc., to assist in the synthesis of complex natural product analogs or new organic compounds with special structures and functions, enrich the variety and structural diversity of organic compounds, and expand the broad space for basic research and application development of organic chemistry.
What are the physical properties of [ (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-yl] methanesulfonic acid?
(1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-ylacetic acid, this substance is a member of the field of organic compounds. Its physical properties are as follows:
In terms of normal or white to off-white crystalline powder, this morphology is easy to observe and initially distinguish. It has a specific melting point, which has been experimentally determined to be in a certain range. This characteristic can be used for purity detection and material identification. Because the melting point is affected by impurities, the melting point of the pure substance is fixed. If it contains impurities, the melting point decreases and the melting range becomes wider.
When talking about solubility, it shows good solubility in organic solvents such as ethanol and acetone. As a common organic solvent, ethanol can form a uniform and stable system with the substance. The principle is that the two molecules can form hydrogen bonds or have similar polarities, and follow the "similar miscibility" rule. However, the solubility in water is not good. Due to the large difference between the molecular polarity of the substance and water, it is difficult for water molecules to overcome the intermolecular forces of the substance to disperse it.
The density of the substance is also an important physical property, and specific values can be obtained by precise measurement. The density is related to the degree of compaction of the molecules of the substance, reflecting its internal structural characteristics.
In addition, it also has a certain vapor pressure. At a specific temperature, the tendency of the molecules of the substance to escape from the condensed phase to the gas phase can be measured by the vapor pressure. Vapor pressure is closely related to temperature. When temperature increases, vapor pressure increases, which has a significant impact on the existence and behavior of substances under different environmental conditions.
What are the synthesis methods of [ (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-yl] methanesulfonic acid?
The synthesis method of (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-ylacetic acid has been known for a long time, and each path has its own ingenuity.
First, the method of nucleophilic substitution can be used. Select the appropriate halogenated hydrocarbons to meet the nucleophilic reagents containing carboxyl groups. Under moderate temperature and pressure, with the help of catalysts, the halogen atoms leave and the nucleophilic reagents embed, and then form a carbon-carbon bond to construct the basic structure of the target molecule. This way requires careful selection of halogenated hydrocarbons and nucleophilic reagents, considering the activity and selectivity of the two, and fine-tuning the reaction conditions to minimize side reactions.
Second, the cyclization reaction is also a good strategy. Start with a chain-like compound with appropriate functional groups to make it cyclize within the molecule. Or through esterification, condensation and other reactions, the chain-end functional groups interact and close into a ring. In this process, it is crucial to regulate the activity of functional groups and selectively guide the reaction check point. The reaction can be induced to proceed in the expected direction by specific reaction solvents and catalysts, and the double-ring structure can be precisely constructed, and then modified to add acetic acid groups.
Third, take advantage of the miracle of the Diels-Alder reaction. Find conjugated dienes and dienes, and the two synergistically react to form a six-membered ring structure in one step. This reaction has the characteristics of high efficiency and good stereoselectivity, and can be ingeniously introduced into the dicyclic part of the target molecule. Subsequent to the conversion of a series of functional groups, methyl and acetic acid groups are added to achieve the purpose of synthesis. However, attention needs to be paid to the structural design of the reactants to meet the requirements of the reaction, and attention should be paid to the post-treatment of the reaction to purify the product.
In the process of synthesis, all aspects need to be carefully studied, from the selection of raw materials, to the control of the reaction conditions, and then to the analysis of the product, the rings are interlocked to obtain pure (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-ylacetic acid.
What are the Quality Standards for [ (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-yl] methanesulfonic acid?
(1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-ylacetic acid, which is an organic compound. There are many quality standards related to it, which are listed as follows:
First, the appearance properties are quite critical. Under normal circumstances, it should appear as a white to off-white crystalline powder, or a colorless to slightly yellow liquid. If the appearance deviates from this state, such as too dark color, obvious impurities or agglomeration, it indicates that the quality of the product is questionable. Because the appearance can often directly reflect the purity and physical state of the substance, it has a great impact on subsequent applications.
Second, the purity index cannot be ignored. The purity of the compound needs to reach a very high level, usually ≥ 98.0%, or even higher, depending on the specific application. Insufficient purity will lead to an increase in impurities, which may affect the reaction process or cause adverse reactions when used in medicine, fine chemicals and other fields. Impurities come from a variety of sources, such as raw materials that are not completely reacted during the synthesis process, side reaction products, etc. They can be determined by high performance liquid chromatography (HPLC), gas chromatography (GC) and other precision instruments.
Third, related substances are also important considerations. Strict control and testing of related impurities that may be generated during the synthesis process is required. These impurities may affect the stability, activity and safety of the compound. The limit of specific impurities is often stipulated, such as a single impurity shall not exceed 0.5%, the total impurity shall not exceed 2.0%, etc. In addition to the above chromatography methods, mass spectrometry (MS), nuclear magnetic resonance (NMR) and other technologies can also be used to accurately identify the structure and content of impurities.
Fourth, the melting point range is also one of the Quality Standards. (1R, 4S) -7,7-dimethyl-2-oxabicyclo [2.2.1] heptyl-1-ylacetic acid has a specific melting point range, generally within a certain range, such as [specific melting point range]. The determination of the melting point can determine the purity and crystalline state of the substance. If the melting point deviates from the normal range, or suggests that there are impurities mixed in, the crystal structure and intermolecular forces are changed.
Fifth, the moisture content needs to be strictly controlled. Excessive moisture may affect the stability and reactivity of the compound, and the moisture content is generally required to be less than or equal to 0.5%. The Carl Fischer method is commonly used to determine the moisture content to ensure that the product quality is not disturbed by moisture.