What is the main use of the compound [ (1S) -3-bromo-7,7-dimethyl-2-oxobicyclo [2.2.1] heptano-1-yl] methanesulfonic acid
This compound is named [ (1S) -3-bromo-7,7-dimethyl-2-oxobicyclic [2.2.1] heptyl-1-yl] acetic acid, which is a crucial intermediate in the field of organic synthesis. In the field of medicinal chemistry, it can use its unique chemical structure and reactivity to construct a complex molecular structure with specific pharmacological activities through multi-step reactions, which can be used to develop new drugs to play therapeutic effects on specific disease targets. In the field of materials science, it can be used as a functional monomer to participate in the synthesis process of polymer materials, endowing materials with unique properties such as special solubility, thermal stability or optical properties to meet the needs of different application scenarios. In addition, in the total synthesis of natural products, the compound can be used as a key starting material or intermediate due to its structure resembling some fragments of natural products, assisting in the total synthesis of natural products with important biological activities, laying the foundation for in-depth research on the biological activity and mechanism of action of natural products, and promoting the development of related fields such as medicine and agriculture.
What are the physicochemical properties of [ (1S) -3-bromo-7,7-dimethyl-2-oxobicyclo [2.2.1] heptyl-1-yl] methanesulfonic acid
I look at this compound, named [ (1S) -3-bromo-7,7-dimethyl-2-oxobicyclic [2.2.1] heptyl-1-yl] acetic acid, and its physicochemical properties are as follows:
Appearance properties, often white to off-white crystalline powder, this is an intuitive state.
In terms of solubility, it has a certain solubility in organic solvents such as ethanol and acetone, but it has little solubility in water. This is because the molecular structure contains both hydrophobic dicyclic and methyl parts, as well as hydrophilic carboxyl groups, but the overall hydrophobicity is dominant. The melting point of
is about a specific range, which has been experimentally determined to be roughly between [X] ° C and [X] ° C. The melting point is determined by following the established thermal analysis method to accurately determine the temperature point at which the compound changes from solid to liquid.
In terms of stability, it is relatively stable at room temperature and pressure. When encountering strong oxidizing agents, strong acids and bases, the structure is easily damaged and chemical reactions occur. In case of concentrated sulfuric acid, it may trigger reactions such as dehydration, because there are reactive functional groups in the molecule.
In terms of acidity and alkalinity, because it contains carboxyl groups, it is weakly acidic and can neutralize with bases to generate corresponding carboxylates.
In the field of organic synthesis, this compound is often used as a key intermediate. Due to its unique double-ring structure and functional groups, it can participate in a variety of reactions, such as esterification reactions, substitution reactions, etc., and can be used to construct more complex organic molecular structures, which is an important cornerstone of organic synthetic chemistry.
What are the synthesis methods of the compound [ (1S) -3-bromo-7,7-dimethyl-2-oxobicyclo [2.2.1] heptyl-1-yl] methanesulfonic acid
To prepare the compound [ (1S) -3-bromo-7,7-diethyl-2-oxobicyclo [2.2.1] heptyl-1-yl] acetic acid, there are various methods for its synthesis.
First, the corresponding dicyclo alcohol can be used. First, the hydroxy group can be converted into a bromine atom with a suitable brominating reagent, such as a mixture of hydrobromic acid and sulfuric acid, or phosphorus tribromide, etc., to obtain a 3-bromo dicyclo. After the reaction with halogenated acetate under basic conditions, the acetate group is introduced. Finally, the target [ (1S) -3-bromo-7,7-diethyl-2-oxobicyclo [2.2.1] heptyl-1-yl] acetic acid is obtained by hydrolysis and acidification.
Second, the dicyclic skeleton can be constructed first, and the dicyclic intermediate can be obtained by the reaction of suitable dienes and dienes through Diels-Alder. After that, through selective oxidation, a 2-oxo structure is formed. Then bromine atoms are introduced through bromination reaction, and finally acetic acid groups are added. It can be achieved by reacting with acetic acid-containing reagents such as acetic anhydride under specific conditions, or by reacting with halogenated acetates and then acidizing.
Third, cyclopentadiene with suitable substituents is used as the starting material, and first reacts with electrophilic reagents to introduce bromine atoms and ethyl substituents. The double-ring structure is constructed by intramolecular reaction, and then oxidized to form a 2-oxo structure. Finally, acetic acid groups are introduced, which can be acidified by Grignard reagent reacting with carbon dioxide or reacting with halogenated acetic acid derivatives. The synthesis method of
needs to be selected according to many factors such as the availability of raw materials, the difficulty of reaction conditions, and the high or low yield.
What is the price range of the compound [ (1S) -3-bromo-7,7-dimethyl-2-oxobicyclo [2.2.1] heptyl-1-yl] methanesulfonic acid in the market?
The price of the compound [ (1S) -3-bromo-7,7-dimethyl-2-oxobicyclo [2.2.1] heptyl-1-yl] acetic acid is within the market price range. However, the price of this compound is difficult to determine, and it is affected by many factors.
First, the difficulty of preparation has a great impact. If the synthesis of this compound requires cumbersome steps, special raw materials or harsh reaction conditions, the cost will be high and the price will rise accordingly.
Second, the market supply and demand relationship is also key. If demand is strong and supply is limited, the price will rise; conversely, if supply exceeds demand, the price may decline.
Third, the quality specification is also related to the price. High purity, high quality, the price is higher than the ordinary quality.
Generally speaking, in the fine chemical market, the price of such compounds or due to the above factors, the price per gram ranges from tens to hundreds of yuan, or even more than a thousand yuan. If you want to get an accurate price, you need to consult the relevant chemical product suppliers, distributors, or refer to the quotation of professional chemical product trading platforms to get a more accurate number.
What are the storage conditions for the compound [ (1S) -3-bromo-7,7-dimethyl-2-oxobicyclic [2.2.1] heptyl-1-yl] methanesulfonic acid
(This chemical is named (1S) -3-cyano-7,7-dimethyl-2-oxobicyclic [2.2.1] heptyl-1-ylacetic acid, hereinafter referred to as this substance) The storage conditions of this compound are quite exquisite. Choose a cool and dry place, because it is afraid of moisture and heat, and high temperature and humidity can cause its properties to change. If placed in a hot place, or cause changes such as decomposition, it will damage its quality.
It should be stored in a sealed device to prevent excessive contact with the outside air. Oxygen and water vapor in the air may induce oxidation or hydrolysis, causing changes in the ingredients. And the sealed device can keep its odor from dissipating, so as not to affect the surrounding environment.
Avoidance from light is also key. Light, especially strong light, can promote the photochemical reaction of the substance, causing structural changes and losing its original characteristics. Therefore, it should be stored in an opaque container or in a dark room.
In addition, the storage place should be kept away from fire sources and strong oxidizing agents. The substance may be in danger of burning in case of fire, and strong oxidizing agents come into contact with it or react violently, endangering safety. In this way, (1S) -3-cyano-7,7-dimethyl-2-oxobicyclo [2.2.1] heptyl-1-ylacetic acid is stable during storage and the quality is safe.