Chemical Name | 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride |
Molecular Formula | C7H8ClF3N4 |
Molecular Weight | 240.615 |
Appearance | Solid (predicted) |
Boiling Point | 341.7°C at 760 mmHg (predicted) |
Melting Point | 189 - 190°C |
Flash Point | 160.4°C (predicted) |
Solubility | Soluble in DMSO, Methanol (Slightly) |
Logp | 1.34 (predicted) |
Pka | 5.28±0.20 (Predicted) |
Chemical Formula | C7H8ClF3N4 |
Molecular Weight | 242.62 |
Appearance | Solid (predicted) |
Melting Point | N/A |
Boiling Point | N/A |
Solubility | Soluble in some organic solvents (predicted) |
Pka | N/A |
Logp | N/A |
Vapor Pressure | Low (predicted) |
Density | N/A |
Chemical Formula | C7H9ClF3N5 |
Molecular Weight | 257.63 |
Appearance | Typically a solid (appearance can vary) |
Physical State At Room Temperature | Solid |
Solubility In Water | Limited solubility (but depends on conditions) |
Solubility In Organic Solvents | Soluble in some organic solvents like ethanol, acetone etc. (degree varies) |
Boiling Point | Relevant data depends on the compound's purity and conditions |
Pka Value | Characteristic acid - dissociation constant specific to the compound |
Uv Absorption Spectrum | Has characteristic absorption bands in the UV region (wavelengths specific to the structure) |
Chemical Formula | C7H8ClF3N4 |
Molecular Weight | 242.614 g/mol |
Appearance | Solid (Typical for salts) |
Melting Point | N/A (Specific value may vary, needs experimental determination) |
Solubility In Water | Moderate to high (due to being a hydrochloride salt) |
Solubility In Organic Solvents | Soluble in some polar organic solvents like ethanol, less in non - polar ones |
Pka | Related to the basicity of the nitrogen - containing heterocyclic structure, specific value requires experimental determination |
Ph In Solution | Acidic (as a hydrochloride salt) |
Stability | Stable under normal conditions, may decompose on heating or under extreme pH conditions |
Hazard Class | May cause skin and eye irritation, proper handling required |
What is the chemical structure of 3- (Trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride?
3 - (trifluoromethyl) -5,6,7,8 - tetrahydro- [1,2,4] triazolo [4,3 - a] pyrazine hydrochloride, an organic compound whose structure contains specific heterocyclic systems and substituents.
Looking at its structure, the core part is composed of the fused heterocyclic ring of triazole and pyrazine. The triazole ring is a five-membered heterocyclic ring containing three nitrogen atoms, and the pyrazine ring is a six-membered heterocyclic ring containing two nitrogen atoms. The identification of 5,6,7,8 - tetrahydro in this compound indicates that the double bond of the pyrazine ring part is reduced, and there are four hydrogen atoms added to the pyrazine ring. Furthermore, trifluoromethyl (-CF) is attached to the 3-position. This substituent has strong electronegativity and unique chemical properties, which have significant effects on the physical, chemical and biological activities of the compound. Finally, the presence of the compound in the form of hydrochloric acid salt means that the molecule forms a salt with hydrochloric acid, and the formation of salt can often change the solubility and stability of the compound.
The structure design of this compound is unique, and the existence of heterocyclic systems gives it potential biological activity, or it can be used in drug development, materials science and other fields. The introduction of trifluoromethyl can regulate the lipophilicity of molecules, the distribution of electron clouds, etc., and the form of hydrochloride may help its application in specific environments.
What are the physical properties of 3- (Trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride?
3- (trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride, which is an organic compound. Its physical properties are unique and of great significance in the field of chemistry and drug development.
Looking at its properties, under room temperature and pressure, it is mostly in the state of white to quasi-white crystalline powder, which is conducive to its uniform dispersion in various chemical reactions and preparation processes, and is also convenient for accurate measurement and operation.
When it comes to solubility, the compound exhibits good solubility in common organic solvents such as methanol and ethanol. This property makes it easy to dissolve in the reaction system or disperse in the carrier solvent during organic synthesis and drug formulation preparation, which is conducive to the full reaction and uniform distribution of the drug. In water, its solubility is relatively limited. However, by adjusting the pH value of the solution or adding specific co-solvents, its solubility in water can be moderately improved to meet the needs of specific application scenarios, such as the requirements of aqueous phase systems in pharmaceutical preparations.
Melting point is one of the important physical constants of compounds, 3- (trifluoromethyl) -5,6,7,8 -tetrahydro- [1,2,4] triazolo [4,3 - a] pyrazine hydrochloride has a relatively high melting point, which reflects its strong intermolecular force, relatively stable structure, and is not prone to phase transformation in high temperature environments. This is of great significance to the choice of storage and processing conditions. It is ensured that the compound can maintain a solid-state stable structure within the range of conventional storage and general processing temperatures, and will not cause melting due to temperature fluctuations that affect its quality and properties.
In addition, the compound also has certain hygroscopicity. In an environment with high humidity, it may absorb moisture in the air, causing its own water content to increase, which in turn affects its physical form and chemical stability. Therefore, it is necessary to pay attention to controlling the ambient humidity during storage, and take appropriate measures such as sealing and dry storage to ensure the quality and performance of the compound.
What is the use of 3- (Trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride?
3- (trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride, which is a rather novel chemical substance. Its uses have been demonstrated in many fields.
In the context of pharmaceutical research and development, it may have unique pharmacological activities. It may be used as a lead compound for researchers to explore in depth to find new drug targets. The introduction of trifluoromethyl can often significantly change the physical, chemical and biological properties of compounds, making it easier to penetrate biological membranes and precisely combine with specific biological macromolecules, so as to exert therapeutic effects, or to develop specific drugs for some difficult diseases. < Br >
In the field of materials science, it may also have outstanding performance. Due to its unique structure, it may be used to prepare materials with special properties. For example, by combining it with other substances, it is expected to produce materials with high selective adsorption capacity for specific gases for gas separation and purification; or to prepare materials with special electrical and optical properties, which can be used in electronic devices, optical devices and other fields.
Furthermore, in the field of organic synthesis, it can be used as a key intermediate. With its own structural characteristics, it participates in various organic reactions and constructs more complex organic molecular structures, providing the possibility for the synthesis of novel organic compounds and promoting the progress and development of organic synthetic chemistry.
In conclusion, 3- (trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride has broad application potential in many fields such as medicine, materials, organic synthesis, etc. It is a chemical substance worthy of further study.
What is the synthesis method of 3- (Trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride?
To prepare 3- (trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride, the method is as follows:
First, the appropriate starting material is obtained, usually the pyrazine-containing structure and the trifluoromethyl group that can be introduced and the triazole ring is preferably. If a pyrazine derivative with a specific substitution is used as a group, the derivative needs to have a reactive functional group in a suitable position, such as a halogen atom, an amino group, etc., for subsequent reactions to proceed.
In a reaction vessel, first contact the pyrazine derivative with the trifluoromethylating reagent. There are many commonly used trifluoromethylation reagents, such as Grignard reagents such as trifluoromethyl magnesium halide, or trifluoromethylsulfonyl chloride. The reaction conditions need to be carefully regulated, and temperature and solvent are all affected. Generally, polar aprotic solvents, such as N, N-dimethylformamide (DMF) or dimethyl sulfoxide (DMSO), are selected, and the temperature may be maintained at low temperature to room temperature, depending on the specific reagent activity. After trifluoromethylation, trifluoromethyl is introduced into the pyrazine structure.
Subsequently, a triazole ring is constructed. Nitrogen-containing reagents, such as sodium azide, are often used to react with pyrazine derivatives that have been introduced with trifluoromethyl. This reaction may require auxiliary catalysts, such as copper salts. Under suitable reaction conditions, after a cyclization reaction, a [1,2,4] triazolo [4,3-a] pyrazine skeleton is formed. At this time, the product is 3- (trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine.
Finally, a salt-forming reaction is carried out to obtain hydrochloride. The above product is dissolved in a suitable solvent, such as ethanol or dichloromethane, and hydrogen chloride gas is introduced or hydrochloric acid solution is added. Control the reaction amount and conditions, and the product is fully divided into salts to obtain a pure 3- (trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride. After separation and purification, such as recrystallization and column chromatography, high purity target products can be obtained.
3- (Trifluoromethyl) -5,6,7,8-tetrahydro- [1,2,4] triazolo [4,3-a] pyrazine hydrochloride What are the precautions during storage and use?
3 - (trifluoromethyl) -5,6,7,8 - tetrahydro- [1,2,4] triazolo [4,3 - a] pyrazine hydrochloride is a chemical. When storing and using it, be sure to pay attention to the following things:
First, storage is essential. This chemical should be stored in a dry, cool and well-ventilated place. Because it may be sensitive to humidity and temperature, if the environment is humid, it may cause moisture and deterioration, and the temperature is too high, it may also cause changes in chemical properties. Be sure to keep away from fires and heat sources to prevent them from decomposing by heat, or even cause safety concerns. And it needs to be stored separately from oxidants, acids, alkalis, etc., and must not be mixed. Because different chemicals may occasionally have violent chemical reactions, endangering safety.
Second, use with caution. When using, be sure to take good personal protection. Wear appropriate protective clothing, gloves, and protective glasses or masks to avoid direct contact with the substance with the skin, eyes and respiratory tract. If you accidentally come into contact with the skin, you should immediately rinse with a large amount of flowing water; if it splashes into the eyes, rinse quickly with a large amount of water and seek medical attention in time. Operate in a well-ventilated environment, preferably in a fume hood to prevent volatile gases from being inhaled into the body. The equipment used to access the substance must be clean and dry to prevent impurities from mixing and affecting its properties. After use, the remaining substances should be properly disposed of in accordance with regulations and should not be discarded at will to avoid pollution to the environment. During operation, the established operating procedures and safety manuals must be strictly followed, and the operation steps must not be changed without authorization to ensure the safety of the use process.