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What is the chemical structure of [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione?
% 5B1% 2C3% 5D oxazolo% 5B4% 2C5 - b% 5D pyridine - 2% 283H% 29 - thione, this is an organic compound. Looking at its name, it can be seen that this compound contains the core structure of oxazolopyridine, and has a thione group at the 2nd position and a hydrogen atom at the 3rd position.
From the structural analysis, the oxazolopyridine part is formed by fusing the oxazole ring with the pyridine ring. The oxazole ring is a five-membered heterocycle containing nitrogen and oxygen atoms; the pyridine ring is a six-membered heterocycle containing nitrogen atoms. After fusing the two, a unique rigid structure is formed, which endows the compound with specific physical and chemical properties. The 2-position sulfur ketone group, that is, the group where carbonyl oxygen is replaced by sulfur atoms, can participate in a variety of chemical reactions due to the characteristics of sulfur atoms, affecting the reactivity and biological activity of compounds. The 3-position hydrogen atom, although seemingly ordinary, can be used as an active check point in some reactions, participating in substitution, elimination and other reactions.
This compound has a unique structure and may have potential applications in organic synthesis and medicinal chemistry. In organic synthesis, it can be used as a key intermediate and can be modified to derive a variety of functional compounds. In pharmaceutical chemistry, due to its unique structure and activity, it may be developed into a new type of drug, which can play a role in specific disease targets.
What are the main physical properties of [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione?
[1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione is a special organic compound with several important physical properties.
Its melting point is one of the key physical properties. The specific melting point of this compound is determined by factors such as intermolecular forces and crystal structure. The specific melting point can help to identify and purify the substance. In laboratory and industrial production, the purity and authenticity can be judged by melting point determination. If the melting point is consistent with the standard values in the literature, it indicates that the purity is quite high; if there is any deviation, it may contain impurities.
The boiling point is also an important physical property. The boiling point reflects the energy required for the substance to change from a liquid state to a gas state, which is closely related to the intermolecular forces. A higher boiling point means that the intermolecular force is strong and requires more energy to overcome. This property is crucial when separating and distilling the substance. The compound can be separated from the mixture according to the difference in boiling point.
The solubility of the substance cannot be ignored. The substance has different solubility in different solvents, or has certain solubility in organic solvents such as ethanol and dichloromethane, but its solubility in water is poor. This property is crucial in chemical reactions and drug development. The appropriate solvent can be selected according to its solubility to promote the reaction or improve the bioavailability of the drug.
In addition, its density also has a corresponding value. Density as a material characteristic can be used to determine the purity of the substance and the distribution in the mixed system. In specific application scenarios, understanding its density can help to accurately measure and allocate, ensuring accurate experimentation and production.
Furthermore, the compound may have a certain color and smell. Although color and smell are not key indicators for identification, they can sometimes provide preliminary clues for judgment. In some cases, a unique color or smell can help to initially identify the substance, and it can be more accurately identified in combination with other physical properties.
What are the applications of [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione?
% 5B1% 2C3% 5D oxazolo% 5B4% 2C5 - b% 5D pyridine - 2% 283H% 29 -thione is useful in many fields.
In the field of medicine, its potential is extraordinary. Due to its special chemical structure, it can be cleverly modified as an active pharmaceutical ingredient. Researchers can use its structural characteristics to explore its interaction with specific targets in organisms. It may have an impact on certain disease-related proteins, enzymes, etc., paving the way for innovative drug research and development, and may play a role in the treatment of anti-cancer, antiviral and neurological diseases.
In the field of materials science, it also has its uses. Its unique chemical properties may give materials specific properties. For example, introducing it into polymer materials can change the electrical and optical properties of the materials, providing the possibility for the preparation of optoelectronic materials with special functions. Or modify the surface of the material to improve the stability and corrosion resistance of the material.
In the field of organic synthesis,% 5B1% 2C3% 5D oxazole% 5B4% 2C5 - b% 5D pyridine - 2% 283H% 29 -thione can be used as a key intermediate. Organic synthesizers can use various chemical reactions to construct more complex organic molecular structures. By reacting with different reagents, diverse chemical transformations are achieved, providing an effective way for the synthesis of organic compounds with special structures and functions, and assisting in the research of new organic materials and total synthesis of natural products.
From this perspective,% 5B1% 2C3% 5D oxazolo% 5B4% 2C5 - b% 5D pyridine - 2% 283H% 29 -thione has important value in the fields of medicine, materials science and organic synthesis. With the deepening of research, its application prospect may be broader.
What are the synthesis methods of [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione?
To prepare [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione, there are three methods. The first is to use pyridine-2,3-diamine to co-heat with carbon disulfide and alkali. First dissolve pyridine-2,3-diamine into a suitable solvent, such as alcohol, then add carbon disulfide, then add alkali dropwise, slowly stir at controlled temperature, for several hours, precipitate, filter, wash, dry, to obtain a crude product, and recrystallize to purify. The second is to react with dithiocarbonate with 2-halogenated pyridine-3-amine. Take 2-halogenated pyridine-3-amine, set in a reactor, add a solution of dithiocarbonate, add a catalytic agent, such as a copper salt, heat and reflux, wait for the reaction to be completed, cool down, crystallize, filter out, rinse with an organic solvent, remove impurities, and dry in vacuum to obtain a refined product. Third, 3-aminopyridine-2-carboxylic acid reacts with phosphorus pentasulfide. Add 3-aminopyridine-2-carboxylic acid and phosphorus pentasulfide to the reaction flask in proportion, add an inert solvent, such as toluene, heat to a boil, stir at reflux, wait for the reaction to reach the desired, cool, pour out the reaction solution, extract with water and organic solvents, collect the organic phase, steam off the solvent, and the residue is purified [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione by column chromatography or recrystallization. These three methods have their own advantages and disadvantages, and need to be selected according to the actual situation, such as the availability of raw materials, cost, yield, etc.
How stable is [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione?
The stability of Guanfu [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione is related to many factors. Among this material structure, the oxazolo-pyridine ring system is self-contained, and the thione group is also the key. The conjugation effect of the ring system can make the electron cloud distribution tend to be uniform, thereby maintaining the stability of the molecule. In the thione group, the outer electron of the sulfur atom is abundant, interacting with the ring system, or enhancing its stability.
However, the stability is also affected by external conditions. When the temperature increases, the thermal motion of the molecule intensifies, or the chemical bond energy is weakened, and the stability decreases. If it is in an oxidizing environment, the thione group may be oxidized, causing the structure to change and the stability to be damaged.
The properties of the solvent have a great impact on its stability. Polar solvents may form hydrogen bonds or dipole-dipole interactions with molecules, changing the interaction mode between molecules and affecting stability.
Under light conditions, molecules may absorb photon energy and transition to excited states, triggering chemical reactions, resulting in poor stability.
In summary, the stability of [1,3] oxazolo [4,5-b] pyridine-2 (3H) -thione depends not only on its own structure, but also on external variables such as temperature, oxidation, solvent, and light. Only by carefully examining various factors can we understand the full picture of its stability.