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5-Bromo-2-iodopyrimidine is a white solid powder that is stable at room temperature and pressure. It is a white solid powder with high purity. Its color is caused by the bromine and iodine elements in the molecule. It is insoluble in water, but has a certain solubility in acidic aqueous solutions. It can be soluble in organic solvents such as ethanol, ether, etc. Its solubility depends on the interaction between molecules and solvents. It is also widely used in the synthesis and research of various organic compounds and bioactive molecules. As an important synthetic intermediate, it provides researchers with rich synthetic methods and tools, promoting in-depth research and development in fields such as chemistry, biology, and medicine. It is often used as an intermediate in the pharmaceutical field. It can be used to synthesize various anti-cancer drugs, antibiotics, antiviral drugs, etc. By reacting with different chemical groups, compounds with specific biological activities can be further synthesized, providing important raw materials for drug development.
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Chemical Formula |
C4H2BrIN2 |
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Exact Mass |
284 |
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Molecular Weight |
285 |
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m/z |
284 (100.0%), 286 (97.3%), 285 (4.3%), 287 (4.2%) |
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Elemental Analysis |
C, 16.86; H, 0.71; Br, 28.05; I, 44.55; N, 9.83 |
5-Bromo-2-iodopyrimidine is an organic compound with a special chemical structure, which has a wide range of applications in chemical analysis.
1. Fluorescence spectroscopy analysis
Due to the presence of bromine and iodine elements in the structure of 5-Bromo 2-iodopyrimidine, it exhibits special fluorescence properties. By using fluorescence spectroscopy analysis, the fluorescence emission spectrum and fluorescence intensity of the substance under different conditions can be determined. By combining with other fluorescent groups, its fluorescence performance and application in complex systems such as biological samples and environmental samples can be further studied.
2. UV Visible Spectral Analysis
The UV visible spectrum of 5-Bromo 2-iodopyrimidine exhibits obvious absorption peaks. By measuring and analyzing these absorption peaks, the light absorption performance, light stability, and interaction with other compounds of the substance can be studied. This method is commonly used to analyze the content and purity of mixtures, especially in the analysis of fine chemicals such as drugs and dyes.
3. Mass spectrometry analysis
Mass spectrometry analysis is a method of analyzing sample components by measuring the mass to charge ratio of sample ions. The mass spectrometry of 5-Bromo 2-iodopyrimidine exhibits distinct molecular ion peaks and fragment ion peaks, which can be used to identify the molecular composition and structure of the substance. In addition, the content of the substance in the mixture can be determined by comparing it with the standard sample.
4. Nuclear magnetic resonance spectroscopy analysis
Nuclear magnetic resonance spectroscopy is a method of analyzing the structure of a sample by measuring the spin magnetic moment of hydrogen atoms or other nuclei in the sample. The nuclear magnetic resonance spectrum of 5-Bromo 2-iodopyrimidine can provide detailed structural information of the molecule, such as chemical shift, coupling constant, etc. By comparing with the standard sample, the type and content of the substance in the mixture can be determined.
5. Chromatographic analysis
Chromatographic analysis is a method of separating and analyzing various components in complex samples. It can be used as a reference or standard for chromatographic analysis to determine the peak position and peak area of the substance in the mixture. By comparing with the standard sample, the content and purity of the substance in the mixture can be determined.
6. Thermal analysis
Thermal analysis is a method of studying the structure, thermal stability, and chemical reactions of a sample by measuring its thermodynamic parameters during the heating process. The thermal analysis of 5-Bromo 2-iodopyrimidine can provide structural information, thermal stability data, and possible thermal decomposition products of the substance. These pieces of information are of great significance for studying their chemical reaction mechanisms and material properties.
5-bromo-2-iodopyrimidine is an important organic synthesis intermediate widely used in fields such as medicine and pesticides. The traditional preparation method usually uses HI solution for iodization reaction, but HI solution has strong corrosiveness and poses safety hazards during transportation and storage. Therefore, developing a safer and more economical preparation method is of great significance for the production of 5-bromo 2-iodopyrimidine. A synthesis method of 5-bromo-7-azaindole, which uses 7-azaindole as the raw material, destroys the five membered ring conjugation of indole through low-pressure liquid-phase hydrogenation, and then prepares the key pharmaceutical intermediate 5-bromo-7-azaindole through oxidative bromination and non-metallic oxidative dehydrogenation. The product purity of this method reaches over 99%.
Firstly, dissolve 5-bromo-2-chloropyrimidine in dichloromethane. Dichloromethane is a common organic solvent that can effectively dissolve 5-bromo-2-chloropyrimidine. After dissolution, the solution appears light yellow.
Next, add potassium iodide and water to the solution. Potassium iodide is a strong base that can react with 5-bromo-2-chloropyrimidine to produce 5-bromo 2-iodopyrimidine. In this process, iodine ions act as nucleophilic reagents to attack the chlorine atom of 5-bromo-2-chloropyrimidine, generating the corresponding 5-bromo 2-iodopyrimidine.
Chemical equation:
C4H2BrClN2 + KI + H2O → C4H2BrIN2 + KOH
In the above reaction, in order to improve the efficiency of the reaction, we introduced phosphorus pentachloride. Phosphorus pentachloride is a strong oxidant that can promote the iodization reaction. Under the action of phosphorus pentachloride, iodine ions are more likely to attack the chlorine atom of 5-bromo-2-chloropyrimidine, generating more 5 bromo-2-iodopyrimidine.
Chemical equation:
C4H2BrClN2 + KI + PCl5 + H2O → C4H2BrIN2 + KOH + HCl
After the reaction is completed, in order to terminate the reaction, we add water for quenching. Water quenching can effectively terminate the reaction and separate the generated 5-bromo 2-iodopyrimidine from the organic layer.
Next, extract the water layer. During this process, KOH and HCl in the water layer are extracted into the organic layer, while 5 bromo-2-iodopyrimidine remains in the water layer. Through extraction, we can further purify 5 bromo-2-iodopyrimidine.
Finally, perform vacuum concentration on the organic layer. During this process, organic solvents such as dichloromethane are evaporated, leaving behind high-purity crude 5 bromo-2-iodopyrimidine.
Add the crude 5-bromo 2-iodopyrimidine obtained to ethanol and heat up until dissolved. Ethanol is a commonly used organic solvent that can effectively dissolve crude 5 bromo-2-iodopyrimidine. During the dissolution process, impurities in the crude product will also be dissolved by ethanol.
After cooling to room temperature, stir for a period of time to thoroughly mix impurities in the crude product with ethanol. Then perform centrifugal separation to separate impurities from ethanol. Wash the obtained solid with ethanol several times to remove residual impurities and ethanol.
Finally, the solid obtained by drying in vacuum. Drying in vacuum can effectively remove residual ethanol and water, resulting in high-purity white solid compound 5 bromo-2-iodopyrimidine.
Through the detailed steps and corresponding chemical equations mentioned above, we can clearly understand the entire process of the preparation method. This method replaces HI solution with KI and PCl5, reducing the amount of I element and saving costs; Simultaneously more conducive to preservation and transportation; More suitable for large-scale production; Higher safety factor; Finally, a high-purity white solid compound 5-bromo-2-iodopyrimidine was obtained.
The development process of 5-bromo-2-iodopyrimidine involves continuous exploration and optimization in the field of organic synthesis technology. The following is a detailed review of its research and development process:
In the early stages of the development of 5-bromo-2-iodopyrimidine, scientists may attempt to find efficient and economical preparation methods through different synthetic pathways. These early studies may involve the selection of multiple raw materials, the use of catalysts, and the optimization of reaction conditions. However, due to the difficulty in tracing specific research details and early literature, it is not possible to provide an exact start time for development and specific information about early researchers.
With the deepening of research, researchers have gradually discovered various effective methods for preparing 5-bromo-2-iodopyrimidine. Some of these methods have been patented and widely applied. For example:
A typical preparation method:
Dissolve 5-bromo-2-chloropyrimidine in dichloromethane, add potassium iodide and water.
Add phosphorus pentachloride in batches under cooling conditions, and after adding, restore to room temperature and continue stirring the reaction.
Track the reaction process through HPLC and stop the reaction when the raw material content is below a certain threshold.
After cooling, add water to quench the reaction, and then add sodium carbonate and sodium sulfite in batches for post-treatment.
Crude 5-bromo-2-iodopyrimidine was obtained through steps such as extraction, stratification, and organic layer vacuum concentration.
Add ethanol to the crude product and raise the temperature until dissolved. Stir and centrifuge at room temperature, wash with ethanol, and dry in vacuum to obtain a white solid compound.
Adverse reactions
5-Bromo-2-iodopyrimidine, as an organic compound, may pose potential hazards to human health and the environment during its production, storage, use, and disposal. The following is a detailed description of its adverse reactions:
acute toxicity
oral toxicity
Ingestion may cause gastrointestinal irritation, manifested as nausea, vomiting, abdominal pain, and diarrhea. In extreme cases, it may trigger central nervous system suppression, leading to dizziness, drowsiness, and even coma.
Skin contact toxicity
5-bromo-2-iodopyrimidine may cause irritation to the skin. Long term or repeated exposure may cause dry, swollen, itchy skin, and even lead to contact dermatitis. For people with sensitive skin, they may exhibit more severe allergic reactions.
Eye contact toxicity
Direct contact with the eyes may cause severe eye irritation, manifested as pain, tearing, conjunctival congestion, and blurred vision. In severe cases, it may cause corneal damage, and immediate rinsing with plenty of water and seeking medical assistance is necessary.
Inhalation toxicity
The dust or vapor of 5-bromo-2-iodopyrimidine may cause irritation to the respiratory tract. Inhalation may cause symptoms such as coughing, sore throat, and difficulty breathing. Exposure to high concentrations may lead to chemical pneumonitis or pulmonary edema.
chronic toxicity
Long term exposure to health effects
Long term exposure to 5-bromo-2-iodopyrimidine may cause chronic toxicity to the liver, kidneys, and central nervous system. Animal experiments have shown that certain pyrimidine compounds may cause liver dysfunction, manifested as elevated serum transaminase levels. The kidneys may experience tubular damage or decreased renal function due to long-term exposure. In terms of the central nervous system, it may cause symptoms such as headaches, memory loss, and lack of concentration.
carcinogenicity
There is currently no clear evidence to suggest that 5-bromo-2-iodopyrimidine is carcinogenic. However, the bromine and iodine atoms in its molecular structure may generate free radicals through metabolism, leading to DNA damage. Long term exposure may increase the risk of cancer, especially in cancer types associated with halogenated hydrocarbons such as liver cancer, lung cancer, etc.
reproductive toxicity
Animal experiments have shown that certain pyrimidine compounds may have adverse effects on the reproductive system. 5-bromo-2-iodopyrimidine may affect male or female reproductive function, leading to decreased fertility or abnormal embryonic development. Pregnant women's exposure may increase the risk of fetal malformations, especially in early pregnancy
Skin, eye, and respiratory irritation
Skin irritation mechanism
5-bromo-2-iodopyrimidine may cause skin moisture loss and inflammatory reactions by disrupting the skin barrier function. Its chemical properties may cause damage to the stratum corneum cells, leading to dryness, flaking, and erythema of the skin. For people with existing skin diseases, the condition may worsen.
Eye irritation mechanism
After eye contact, 5-bromo-2-iodopyrimidine may directly damage corneal and conjunctival epithelial cells, leading to inflammatory reactions. Its high reactivity may lead to increased tear secretion and eyelid spasms, and in severe cases, may cause corneal ulcers or permanent visual impairment.
Hazards of inhalation route
The dust or vapor of 5-bromo-2-iodopyrimidine can enter the human body through the respiratory tract, causing upper respiratory tract irritation. Long term exposure may lead to chronic bronchitis or decreased lung function. Under high concentration exposure, acute respiratory distress syndrome (ARDS) may occur.
Occupational exposure risk
In scenarios such as chemical production, laboratory operations, and pesticide use, workers may be exposed to 5-bromo-2-iodopyrimidine due to failure to take effective protective measures. Occupational health monitoring data show that the incidence rate of respiratory diseases in long-term exposed population is significantly higher than that in the general population.
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