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What is the chemical structure of 5-iodopyrimidine-2,4 (1h, 3h) -dione?
5-Iodopyrimidine-2,4 (1H, 3H) -dione is an organic compound. Its molecular structure is quite characteristic.
From the structural analysis, this compound contains a pyrimidine ring, which is a six-membered heterocycle composed of two nitrogen atoms and four carbon atoms. In the fifth position of the pyrimidine ring, there are iodine atoms connected. The iodine atom has a large atomic radius and electronegativity, which affects the physical and chemical properties of the molecule.
And at the 2nd and 4th positions of the pyrimidine ring, there are two carbonyl groups (C = O), respectively, in the states of 1H and 3H. Carbonyl is a polar functional group. Due to its strong electronegativity of oxygen atoms in carbon-oxygen double bonds, carbonyl carbons are partially positively charged, vulnerable to nucleophilic attack, and participate in many chemical reactions.
The structure of this compound gives it unique chemical activity. Iodine atoms can participate in reactions such as nucleophilic substitution and coupling; while carbonyl groups can perform reactions such as addition and condensation, and have potential application value in the field of organic synthesis. The particularity of its structure also determines that it can exhibit unique properties in pharmaceutical chemistry, materials science and other fields, and can be used as an important intermediate for the synthesis of specific functional compounds.
What are the main uses of 5-iodopyrimidine-2,4 (1h, 3h) -dione?
5-Iodopyrimidine-2,4 (1H, 3H) -diketone is an organic compound. Its main uses are various, and they are described as follows:
First, in the field of medicinal chemistry, this compound is quite valuable. Its unique structure or biological activity can be used as a lead compound to develop new drugs. By chemically modifying and modifying it, it is expected to create therapeutic drugs for specific diseases, such as anti-tumor and anti-viral drugs. Taking the development of anti-tumor drugs as an example, scientists can optimize the structure by exploring their interaction with specific targets in tumor cells, enhancing the inhibitory effect of drugs on tumor cells and reducing damage to normal cells.
Second, in organic synthesis chemistry, 5-iodopyrimidine-2,4 (1H, 3H) -dione is also an important intermediate. Due to the existence of iodine atoms and pyrimidine rings, it can participate in many organic reactions, such as coupling reactions. Through coupling reactions, it can be connected with other organic fragments to construct more complex organic molecular structures, providing a way for the synthesis of organic materials with specific functions or natural product analogs.
Third, in the field of materials science, new functional materials may be developed based on 5-iodopyrimidine-2,4 (1H, 3H) -dione. For example, through rational molecular design and assembly, it has unique optical and electrical properties, which can be used to prepare optoelectronic devices such as organic Light Emitting Diodes (OLEDs) and organic photovoltaic cells, which contribute to the development of materials science.
What are the synthesis methods of 5-iodopyrimidine-2,4 (1h, 3h) -dione?
There are various ways for the synthesis of 5-iodine-pyrimidine-2,4 (1H, 3H) -dione. Let's discuss one of them now.
can be started from pyrimidine-2,4 (1H, 3H) -dione, which is a common raw material. First place it in a suitable reaction vessel, such as a flask. The choice of iodine source is very important to participate in the reaction with a halogenating agent, such as potassium iodide and iodine elemental substances can be considered. The reaction needs to be carried out in an appropriate solvent, such as dichloromethane, N, N-dimethylformamide (DMF). If iodine elemental substance is used as a halogenating agent, it is often necessary to add an appropriate catalyst, such as mercury oxide, to promote the substitution reaction of iodine atoms. When
reacting, temperature control is also a priority. Generally speaking, starting at low temperature, gradually heating up to a suitable reaction temperature, or stirring the reaction under mild heating conditions, so that iodine atoms can smoothly replace specific positions on the pyrimidine ring to obtain the target product 5-iodopyrimidine-2,4 (1H, 3H) -dione. The reaction process can be monitored by means of thin layer chromatography (TLC). When the raw material spots disappear or reach the expected level, the reaction can be terminated. Subsequent separation and purification methods such as column chromatography and recrystallization are used to obtain pure products.
There is another way, which can be started from other compounds containing pyrimidine structures and converted through a series of reactions to achieve this goal. However, each method has its advantages and disadvantages, and it needs to be selected according to the actual situation, such as the availability of raw materials, cost considerations, and difficulty of reaction.
What are the physical properties of 5-iodopyrimidine-2,4 (1h, 3h) -dione?
5-Iodopyrimidine-2,4 (1H, 3H) -dione, this is an organic compound with specific physical properties. Its appearance is often white to light yellow crystalline powder. Viewed under a microscope, the crystal morphology is regular and the structure is orderly.
When talking about the melting point, it is about 190-195 ° C. In this temperature range, the lattice structure of the substance is damaged by heat, and the molecular movement intensifies, gradually melting from solid to liquid. This melting point characteristic is of great significance for its purification and identification. The purity of the substance can be judged by the melting point measurement. If the melting point of the sample is consistent with the theoretical value and the melting range is narrow, it usually indicates high purity. On the contrary, if the melting range is wide and deviates from the theoretical value, the purity is questionable.
The solubility of this compound is also a key physical property. In water, its solubility is very small, due to the limited polarity of its molecular structure and weak interaction with water molecules. However, in organic solvents such as dimethyl sulfoxide (DMSO) and N, N-dimethylformamide (DMF), the solubility is relatively high. This solubility characteristic is widely used in organic synthesis and drug development. For example, when building a reaction system, a suitable solvent can be selected according to its solubility to ensure the smooth progress of the reaction.
In addition, the density of 5-iodopyrimidine-2,4 (1H, 3H) -dione is about 2.0 g/cm ³, which is relatively dense. Density, as an inherent property of a substance, has a great impact on product storage and transportation, and it is necessary to choose suitable packaging and transportation methods to ensure process safety.
In summary, the physical properties of 5-iodopyrimidine-2,4 (1H, 3H) -dione, such as appearance, melting point, solubility and density, are of important guiding value for its application in chemical synthesis, drug research and development, and related fields. It helps researchers to use the substance rationally and achieve expected experimental and production goals.
What are the chemical properties of 5-iodopyrimidine-2,4 (1h, 3h) -dione?
5-Iodopyrimidine-2,4 (1H, 3H) -dione, this substance has unique properties and multiple chemical properties.
Its appearance is often crystalline, stable at room temperature, and when it encounters a hot topic or an open flame, it is active and has a risk of combustion. Its solubility is of considerable concern. It can be moderately dissolved in polar organic solvents such as ethanol and acetone, but in water, its solubility is limited. This solubility characteristic is closely related to the polar groups and iodine atoms contained in the molecular structure.
In terms of reactivity, the iodine atoms in this compound are highly active and easily participate in nucleophilic substitution reactions. In the presence of alkali, iodine atoms are easily replaced by nucleophiles, resulting in the derivation of a variety of new compounds. The carbonyl groups on the pyrimidine ring also exhibit significant reactivity and can participate in the condensation reaction, condensing with compounds containing active hydrogen to form products with more complex structures.
In addition, the spectral properties of this substance also have unique characteristics. In infrared spectroscopy, carbonyl groups exhibit characteristic absorption peaks at specific wavenumbers, providing an important basis for their identification. In nuclear magnetic resonance spectroscopy, hydrogen and carbon atoms at different positions give specific chemical shift signals, thereby clarifying their molecular structures.
In summary, 5-iodopyrimidine-2,4 (1H, 3H) -dione is rich in chemical properties and has potential application value in organic synthesis, medicinal chemistry and other fields. It can be used as a key intermediate for the creation of new compounds and drugs.