Chemical Formula | C4H3BrN2 |
Molecular Weight | 160.98 g/mol |
Appearance | Solid |
Color | Off - white to light yellow |
Melting Point | 195 - 199 °C |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like DMSO, DMF |
Hazard Class | Irritant (may cause skin, eye and respiratory irritation) |
What are the main uses of Bromopyrimidazole?
3-Bromopyrimidine imidazole is also an organic compound. It has a wide range of uses and is often a key intermediate in the creation of drugs in the field of medicinal chemistry. Due to the structure of pyrimidine imidazole, it has unique biological activities. The introduction of bromine atoms can also adjust the reactivity and biological activity of compounds, so it is often necessary for the synthesis of antibacterial, antiviral, antitumor and other drugs.
In materials science, it also has its uses. With its special chemical structure, it can participate in the preparation of functional materials with specific properties, such as optoelectronic materials, etc., which affect the electrical and optical properties of materials, and then meet the needs of different application scenarios.
In addition, in the field of organic synthetic chemistry, 3-bromopyrimidine imidazole, as an important synthetic building block, can react with many reagents to construct more complex organic molecular structures by virtue of its bromine atom's susceptibility to nucleophilic substitution and other reactions, which helps organic synthetic chemists achieve diverse synthesis goals and promotes the development and progress of organic synthetic chemistry.
What are the physical properties of Bromopyrimidazole?
3-Bromopyrimidazole is an organic compound, and its physical properties are quite important. This compound is mostly solid at room temperature. Due to intermolecular forces, it has a certain melting point, about 160-164 ° C. This property can be determined by melting point determination when identifying and purifying. Its solid state is conducive to storage and transportation, due to its relatively high stability.
From the perspective of solubility, 3-Bromopyrimidazole has a certain solubility in organic solvents such as dichloromethane, N, N-dimethylformamide (DMF). In dichloromethane, because it can form a moderate force between molecules and dichloromethane molecules, it can be well dissolved. This property is convenient for organic synthesis as a reaction substrate to participate in various reactions, because many organic reactions are carried out in organic solvent systems. However, the solubility in water is very small, because the polarity of the molecule and the polarity of the water molecule is quite different, which is not conducive to the interaction and dissolution. When separating and purifying from the reaction system, the immiscibility of water and organic solvents can be used for extraction and separation.
In addition, 3-Bromopyrimidazole has a certain density. Although the exact value will vary depending on the measurement conditions, the approximate density can help to predict its distribution and behavior in the system when it comes to the operation of mixed liquids or solid-liquid systems. In addition, its appearance is often white to light yellow crystalline powder, which can be used as one of the identification criteria during preliminary observation to make a preliminary distinction from other compounds. In short, understanding the physical properties of 3-Bromopyrimidazole is of great significance for its application in organic synthesis, analytical chemistry and other fields.
What are the synthesis methods of 3-Bromopyrimidazole?
The synthesis method of 3-bromopyrimidine imidazole has existed in ancient times, and is described in detail below.
First, pyrimidine imidazole is used as the starting material and obtained by halogenation reaction. First, pyrimidine imidazole is placed in a suitable reaction vessel and injected with an appropriate amount of solvent, such as dichloromethane, chloroform, etc., to create a homogeneous reaction environment. Then, slowly add brominating reagents, such as liquid bromine, N-bromosuccinimide (NBS), etc. The reaction system needs to be stirred moderately at low temperature or room temperature. If liquid bromine is used, due to its high activity, the reaction is violent, and the dripping speed and reaction temperature need to be carefully controlled to prevent side reactions from breeding; if NBS is used, the reaction is relatively mild and easy to control. The reaction process is monitored in real time by thin layer chromatography (TLC). When the raw material points disappear, the reaction is complete. Then, the pure 3-bromopyrimidine imidazole can be obtained by regular separation and purification methods, such as column chromatography and recrystallization.
Second, start from the pyrimidine ring and the bromopyrimidazole fragment. First, the pyrimidine ring containing a specific substituent is prepared, and the pyrimidine skeleton is constructed through a series of reactions, such as nucleophilic substitution and cyclization. At the same time, the imidazole fragment containing bromine is synthesized. Then, the two are connected by suitable coupling reactions, such as the coupling of transition metal catalysis. Commonly used transition metal catalysts include palladium and copper, and with suitable ligands, the effective coupling of the two can be achieved under specific reaction conditions. In this process, precise regulation of reaction conditions is crucial, including temperature, type and dosage of base, solvent selection, etc., all affect the yield and selectivity of the reaction. The final product also needs to be carefully separated and purified to obtain the target product 3-bromopyrimidine imidazole.
Third, pyrimidinone is used as the starting material. Pyrimidinone is first brominated and bromine atoms are introduced at specific positions in the pyrimidine ring. After that, it is converted into an imidazole structure through a multi-step reaction. Although this route is complex, the selectivity and controllability of each step are strong. After each step, the product needs to be carefully separated and identified to ensure that the reaction proceeds according to the expected path and finally synthesizes 3-bromopyrimidine imidazole.
What is the price range of 3-Bromopyrimidazole in the market?
3 - Bromopyrimidazole is an important chemical raw material in the field of organic synthesis, which is widely used in the pharmaceutical, pesticide and other industries. Its market price fluctuates, often affected by raw material costs, production processes, market supply and demand and many other factors.
Looking at the past market conditions, due to the improvement of production processes, when the supply of raw materials is abundant, its price may be relatively stable and close to the people. If high-quality raw materials are used with efficient production processes, under mass production, the price per gram may fall into a lower range, about tens of yuan.
However, the world is impermanent. If raw materials are scarce, such as insufficient supply of specific starting materials, or technical problems in the production process cause a sharp decrease in output, and the market is in short supply, its price will rise sharply like a runaway horse. At this point, the price per gram may rise to more than 100 yuan, or even higher.
Furthermore, market demand is also a key factor. If the pharmaceutical R & D field is enthusiastic about the research of new drugs with 3-Bromopyrimidazole structure, the demand surges, and the supply is difficult to keep up in time, the price will also rise.
All in all, the market price of 3-Bromopyrimidazole fluctuates roughly in the range of tens of yuan per gram to more than 100 yuan per gram. It is difficult to give an exact value. It is necessary to pay close attention to the market dynamics of raw materials, processes, supply and demand in order to accurately grasp.
3-Bromopyrimidazole What are the precautions during storage and transportation?
3-Bromopyrimidine imidazole is an organic compound. When storing and transporting, many key matters must be paid attention to.
First, when storing, find a cool, dry and well-ventilated place. Because the compound may be sensitive to humidity and temperature, high temperature or high humidity may cause it to deteriorate or cause chemical reactions. For example, if stored in a humid place, moisture may interact with 3-bromopyrimidine imidazole, destroying its chemical structure and damaging its quality.
Second, it should be stored separately from oxidants, acids, bases and other substances. This is due to the chemical properties of 3-bromopyrimidine imidazole, or violent reaction with the above substances, resulting in hazards such as fire, explosion, etc.
Third, the storage container must be tightly sealed. This can not only prevent its volatilization and loss, but also avoid contact with components in the air, such as oxygen, water vapor, etc., to prevent oxidation and other reactions.
As for transportation, the first thing to ensure is that the packaging is firm. Choose suitable packaging materials to prevent the container from being damaged during transportation, resulting in leakage of 3-bromopyrimidine imidazole.
During transportation, also avoid high temperature and violent vibration. High temperature environment may cause reactions such as decomposition, and violent vibration may cause damage to the packaging and then leakage. Transport vehicles need to be equipped with appropriate ventilation equipment to discharge harmful gases that may be volatilized. At the same time, transport personnel should be familiar with the characteristics of the compound and emergency treatment methods. In case of unexpected situations such as leakage, they can be disposed of quickly and properly to ensure the safety of personnel and the environment from serious pollution.