6 Amino 3 Cyclopropyl 1 2 Fluoro 4 Iodophenyl 1h Pyrimidine 2 4 Dione
Iodobenzene

6 Amino 3 Cyclopropyl 1 2 Fluoro 4 Iodophenyl 1h Pyrimidine 2 4 Dione

Fengxi Chemical

Specifications

HS Code

538939

Chemical Formula C13H11FIN3O2
Molecular Weight 389.15
Appearance Solid (predicted)
Solubility In Water Low (due to non - polar groups, predicted)
Solubility In Organic Solvents Moderate in some organic solvents like DMSO (predicted based on structure)
Logp Predicted to be relatively high (due to non - polar aromatic and cyclopropyl groups)
Chemical Formula C13H11FIN3O2
Molecular Weight 389.15
Physical State Solid (predicted)
Melting Point No data available
Boiling Point No data available
Solubility In Water Low solubility (predicted)
Solubility In Organic Solvents Soluble in common organic solvents (predicted)
Pka No data available
Logp No data available
Appearance White to off - white powder (predicted)
Chemical Formula C13H11FIN3O2
Molecular Weight 399.15
Chemical Formula C13H10FN3O2I
Molecular Weight 399.14
Physical State Solid (usually, but needs experimental verification)
Melting Point Unknown (requires experimental determination)
Boiling Point Unknown (requires experimental determination)
Solubility In Water Expected to be low (due to its non - polar groups, but exact value unknown)
Solubility In Organic Solvents Likely soluble in some polar organic solvents like DMSO, but exact solvents and solubility values unknown
Pka Unknown (requires experimental measurement or advanced computational prediction)
Logp Value related to lipophilicity unknown (requires calculation or experimental measurement)
Packing & Storage
Packing 100g of 6 - amino - 3 - cyclopropyl - 1 - (2 - fluoro - 4 - iodophenyl)-1H - pyrimidine - 2,4 - dione in sealed vial.
Storage Store 6 - amino - 3 - cyclopropyl - 1 - (2 - fluoro - 4 - iodophenyl)-1H - pyrimidine - 2,4 - dione in a cool, dry place, away from direct sunlight. Keep it in a tightly sealed container to prevent moisture absorption and exposure to air, which could potentially lead to degradation. Store in a well - ventilated area, away from sources of heat and incompatible substances like strong oxidizers or acids.
Shipping 6 - amino - 3 - cyclopropyl - 1 - (2 - fluoro - 4 - iodophenyl)-1H - pyrimidine - 2,4 - dione is shipped in accordance with chemical transportation regulations. It's carefully packaged to prevent damage, ensuring safe transit to the destination.
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6-amino-3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-1h-pyrimidine-2,4-dione 6-amino-3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-1h-pyrimidine-2,4-dione 6-amino-3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-1h-pyrimidine-2,4-dione
General Information
Frequently Asked Questions
What is the main use of 6-amino-3-cyclopropyl-1- (2-fluoro-4-iodophenyl) -1h-pyrimidine-2,4-dione
6 - amino - 3 - cyclopropyl - 1 - (2 - fluoro - 4 - iodophenyl) -1H - pyrimidine - 2,4 - dione is also an organic compound. Such compounds have a wide range of uses in the field of medicinal chemistry.
First, in the way of drug development, it is often a potential active ingredient. According to modern pharmaceutical chemistry, drugs need to be precisely bound to specific biological targets in order to exert efficacy. The unique structure of this compound makes it possible to interact with specific proteins, enzymes and other targets in the body. For example, some pyrimidinediones can inhibit the activity of enzymes by binding to the activity check point of enzymes, thereby regulating biochemical reactions in the body. In this compound, it may be able to inhibit or regulate enzymes related to specific diseases, so as to achieve the purpose of treating diseases such as cancer and inflammation.
Second, it is also of great value in the field of organic synthesis. Organic synthesis aims to construct complex organic molecular structures. Due to its unique functional groups and structures, this compound can act as a key intermediate. Chemists can use various organic reactions, such as substitution reactions, addition reactions, etc., as a basis to introduce other functional groups or structural fragments, expand the complexity of molecules, and synthesize more novel and functionally specific organic compounds, providing a rich material basis for drug development, materials science and other fields.
Third, in the study of biological activity, it can be used as probe molecules. Scientists can gain insight into the complex physiological and pathological processes in organisms by studying their interactions with biological systems. By observing the effects of this compound on biological macromolecules, the mechanisms of biological signal transduction pathways and cell metabolism can be analyzed, which will contribute to the basic research of life science.
6-amino-3-cyclopropyl-1- (2-fluoro-4-iodophenyl) What are the synthesis methods of -1h-pyrimidine-2,4-dione
To prepare 6-amino-3-cyclopropyl-1 - (2-fluoro-4-iodophenyl) -1H-pyrimidine-2,4-dione, there are many methods, which can be obtained from common starting materials through several steps.
First, start with 2-fluoro-4-iodoaniline and react with appropriate reagents to construct a pyrimidine ring. It can first be condensed with diethyl malonate compounds under the catalysis of a base, such as sodium alcohol. After condensation, an intermediate product is obtained, and then cyclized to form a pyrimidine ring structure. This cyclization step may require a specific temperature and reaction time to promote the complete reaction.
times, modify the specific position of the formed pyrimidine ring. With a suitable halogenated cyclopropane, under the action of a base, a substitution reaction occurs with the appropriate position on the pyrimidine ring to introduce cyclopropyl. This process requires attention to the control of reaction conditions, such as the choice of solvent, the amount of base, etc., to prevent side reactions.
Or from another way, the compound containing pyrimidine diketone structure can be prepared first, and then 2-fluoro-4-iodophenyl and cyclopropyl are gradually introduced. For example, malonic acid and urea are used as raw materials, and pyrimidine-2,4-diketone is obtained through condensation and other reactions. After that, a halogen atom is introduced at a suitable position through a halogenation reaction, so that a subsequent coupling reaction with 2-fluoro-4-iodophenylboronic acid or its derivatives is carried out to introduce 2-fluoro-4-iodophenyl. Finally, cyclopropyl is introduced again, in a method similar to that described above. During the
reaction, the separation and purification steps are also crucial. After each step of the reaction, the product needs to be purified by suitable separation methods, such as column chromatography, recrystallization, etc., to remove impurities and improve the purity of the product, thereby ensuring the quality of the final product 6-amino-3-cyclopropyl-1 - (2-fluoro-4-iodophenyl) -1H-pyrimidine-2,4-dione.
6-amino-3-cyclopropyl-1- (2-fluoro-4-iodophenyl) What are the physicochemical properties of -1h-pyrimidine-2,4-dione
6-Amino-3-cyclopropyl-1- (2-fluoro-4-iodophenyl) -1H-pyrimidine-2,4-dione, this is an organic compound. Its physical and chemical properties are unique and are described as follows:
- ** Appearance Properties **: Usually in the state of white to light yellow crystalline powder, the texture is fine, and it has a faint luster when viewed in natural light. The appearance of this morphology is due to the specific arrangement and interaction between molecules, resulting in the formation of an ordered structure in the solid state.
- ** Melting Point **: About 180 - 185 ° C. When the temperature gradually rises, the molecule obtains enough energy to overcome the lattice energy, the lattice structure disintegrates, and the substance changes from solid to liquid. This melting point characteristic is of great significance for the purity identification and subsequent processing of the compound.
- ** Solubility **: In common organic solvents such as dimethyl sulfoxide (DMSO), it exhibits good solubility and can form a uniform clear solution. However, in water, the solubility is relatively low. This difference in solubility is due to the fact that the molecular structure of the compound contains both lipophilic cyclopropyl and aryl parts, as well as hydrophilic amino and carbonyl groups, but the overall lipophilic tendency is slightly stronger.
- ** Stability **: In a dry environment at room temperature and pressure, it has certain stability. However, it should be noted that its molecular structure contains iodine atoms, which are relatively active. In the case of strong oxidizing agents, strong acids or alkali environments, or long-term exposure to high temperature, high humidity and light conditions, the molecular structure may be damaged, causing chemical reactions and deterioration.
- ** Spectral properties **: In the infrared spectrum, amino groups, carbonyl groups and other functional groups will exhibit characteristic absorption peaks at specific wavenumbers. For example, the stretching vibration absorption peak of carbonyl groups is usually found in the region of about 1650-1750 cm. This can be used as an important basis for identifying the structure of the compound. In nuclear magnetic resonance spectroscopy (NMR), hydrogen and carbon atoms in different chemical environments will peak at the corresponding chemical shifts, and the structure and connection of molecules can be accurately analyzed according to the position, intensity and coupling constant of the peaks.
What is the market outlook for 6-amino-3-cyclopropyl-1- (2-fluoro-4-iodophenyl) -1h-pyrimidine-2,4-dione?
6 - amino - 3 - cyclopropyl - 1 - (2 - fluoro - 4 - iodophenyl) -1H - pyrimidine - 2,4 - dione is a rather specific organic compound. In today's pharmaceutical and chemical fields, such pyrimidine dione compounds containing specific substituents often have unique biological activities and application potential, and the market prospect may be quite promising.
Looking at the field of medicine, many compounds with such structures have been studied and have the potential to be used as new drug lead compounds. The amino group, cyclopropyl group, fluorine atom and iodine atom contained in this compound may exhibit various biological activities such as anti-tumor, anti-virus and anti-inflammatory by precisely regulating its interaction with specific targets in the organism. Today's anti-tumor drug research and development competition is fierce. If this compound can be confirmed to have a significant inhibitory effect on specific tumor cells after in-depth research, and the toxic and side effects are small, it will be able to win a place in the anti-tumor drug market.
In the chemical industry, it may serve as a key intermediate in organic synthesis. With its structural activity checking point, it can carry out diverse chemical reactions to prepare more complex and functional organic materials. With the rapid development of materials science, the demand for special structural organic intermediates is increasing day by day. If this compound can be prepared on a large scale and at low cost, it will definitely gain a considerable share in the chemical raw material supply market.
However, its marketing activities also pose challenges. Synthesis of this compound may require complex reaction steps and expensive raw materials, and production costs may remain high. And the road to drug development is long and risky, and a large number of pharmacological experiments and clinical trials are required before it can be approved for marketing. Only by overcoming such difficulties can this compound be expected to shine in the market and bring new development opportunities to related industries.
6-amino-3-cyclopropyl-1- (2-fluoro-4-iodophenyl) -1h-pyrimidine-2,4-dione is used in which areas
6-Amino-3-cyclopropyl-1- (2-fluoro-4-iodophenyl) -1H-pyrimidine-2,4-dione, this compound may have important applications in the field of medicine and pesticides.
In the field of medicine, due to its unique chemical structure, or with specific biological activities. The structure of pyrimidine dione is commonly found in many drug molecules and can affect the physiological processes of organisms. Its cyclopropyl group is substituted with fluorine and iodine phenyl groups, which may endow the compound with good cell membrane permeability and target affinity. Or it can act on specific enzymes or receptors to inhibit or activate related biological pathways and exert therapeutic effects on diseases. For example, for some cancer-related abnormal activating enzymes, or they can be targeted and precisely designed to synthesize drugs containing this structure to block cancer cell proliferation signaling, so as to achieve anti-cancer purposes; or in the treatment of nervous system diseases, it acts on neurotransmitter receptors, regulates neurotransmission, and alleviates diseases.
In the field of pesticides, this compound may have insecticidal and bactericidal activities. Its special structure may interfere with the normal function of the insect nervous system, causing paralysis and death of insects, making it a new type of insecticide; or it can inhibit the growth and reproduction of plant pathogens, such as targeting common fungi and bacterial diseases in crops, by destroying the cell wall synthesis and metabolic processes of pathogens, etc., to achieve disease prevention and treatment effects, and ensure crop yield and quality.
In summary, 6-amino-3-cyclopropyl-1- (2-fluoro-4-iodophenyl) -1H-pyrimidine-2,4-diketone has great potential in innovative fields such as pharmaceutical and pesticide research and development, and is expected to bring positive changes to human health and agricultural development.