Chemical Formula | C13H12F3N3O |
Molecular Weight | 283.25 |
Appearance | Solid (usually white to off - white) |
Melting Point | Specific value would need experimental determination |
Boiling Point | Specific value would need experimental determination |
Solubility | Solubility characteristics in different solvents like water, organic solvents (e.g., ethanol, DMSO) would need experimental determination |
Pka | Specific value would need experimental determination |
Logp | Specific value would need experimental determination |
Density | Specific value would need experimental determination |
Stability | Stability under different conditions (temperature, light, air) would need experimental determination |
Chemical Formula | C12H10F3N3O |
Molecular Weight | 269.227 g/mol |
Appearance | Solid (usually white or off - white powder) |
Melting Point | Varies, typically in a certain temperature range (data needs further experimental determination) |
Solubility In Water | Low solubility, hydrophobic |
Solubility In Organic Solvents | Soluble in some organic solvents like dichloromethane, DMSO |
Pka | No publicly available standard value (requires experimental determination) |
Logp | Positive value indicating lipophilicity |
Crystal Structure | Unknown without X - ray crystallography data |
Chemical Formula | C12H10F3N3O |
Molecular Weight | 269.227 g/mol |
Chemical Formula | C13H12F3N3O |
Molecular Weight | 283.25 |
Appearance | Solid (predicted) |
Melting Point | N/A |
Boiling Point | N/A |
Solubility | Soluble in organic solvents (predicted) |
Logp | 2.21 (predicted) |
Pka | N/A |
Density | 1.41 g/cm³ (predicted) |
Vapor Pressure | N/A |
What is the chemical structure of 1-amino-N- [6-cyano-5- (trifluoromethyl) -3-pyridyl] cyclobutanecarboxamide
1 - amino - N - [6 - cyano - 5 - (trifluoromethyl) -3 - pyridyl] cyclobutanecarboxamide is the name of an organic compound. According to this name, its chemical structure can be deduced as follows:
The core of this compound is a cyclobutane structure with a carboxamide group on the cyclobutane, which means that one carbon atom of the cyclobutane is connected to the carbonyl group (C = O), and the other atom of the carbonyl group is connected to the amino group (-NH2O), that is, the structure of carboxyamide is formed.
"1 - amino" indicates that the 1 position of the cyclobutane is connected with an amino group (-NH2O).
Furthermore, the "N - [6 - cyano - 5 - (trifluoromethyl) -3 - pyridyl]" section indicates that the nitrogen atom of the carboxylamide is connected to a pyridyl group. The 3rd position of the pyridine ring is connected to the nitrogen atom, the 5th position has trifluoromethyl (-CF 🥰), and the 6th position has cyano (-CN).
In this way, the chemical structure of this compound is clarified, and the positions of each substituent on the cyclobutane and pyridine rings are also determined. The structure of the compound is composed of cyclobutane and pyridine ring connected by carboxylamide group, and has a specific substituent form. The properties and interactions of each group will determine the chemical and physical properties of the compound.
What are the main uses of 1-amino-N- [6-cyano-5- (trifluoromethyl) -3-pyridyl] cyclobutanecarboxamide
1 - amino - N - [6 - cyano - 5 - (trifluoromethyl) -3 - pyridyl] cyclobutanecarboxamide, this is the name of an organic compound. Its main use is quite extensive, in the field of pharmaceutical research and development, it may be the key intermediate for the creation of new drugs. Because the compound has a specific chemical structure and activity, it can be synthesized by organic means, through a series of reactions and modifications, to construct drug molecules with therapeutic effect on specific diseases.
It also has potential uses in the development of pesticides. It may be able to derive pesticide ingredients with high insecticidal, bactericidal or herbicidal activities. Through precise design and synthesis, it is highly selective and active to target organisms, thus providing a strong guarantee for agricultural production, helping to control crop diseases and pests, and improving crop yield and quality.
Furthermore, in the field of basic chemical research, it can provide key model compounds for research in organic synthetic chemistry, medicinal chemistry and other fields. Scientists can expand the boundaries of chemical knowledge by in-depth exploration of its structure, properties and reaction mechanism, providing an important basis for the development of new synthetic methods and the construction of new theories.
This compound has important value and use in many fields such as medicine, pesticides and basic chemical research, and plays an indispensable role in promoting the development of related fields.
What is the synthesis method of 1-amino-N- [6-cyano-5- (trifluoromethyl) -3-pyridyl] cyclobutanecarboxamide
To prepare 1 - amino - N- [6 - cyano - 5- (trifluoromethyl) -3 - pyridyl] cyclobutanecarboxamide, the method is as follows:
Take 6 - cyano - 5- (trifluoromethyl) -3 - aminopyridine as the starting material, which is the key substrate. The cyano group and trifluoromethyl in its structure are based on the specific position of the pyridine ring, and the amino group is also the active check point of the subsequent reaction. Mix it with a suitable cyclobutane carboxylic acid derivative, often in a suitable organic solvent, such as dichloromethane, N, N - dimethylformamide.
Then, add a condensing agent, such as dicyclohexyl carbodiimide (DCC) or 1-ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride (EDC · HCl), which can promote the formation of amide bonds. At the same time, in order to neutralize the acid produced by the reaction, it is often necessary to add an organic base, such as triethylamine or N, N-diisopropyl ethylamine, to maintain the acid-base balance of the reaction system and facilitate the forward reaction.
When reacting, pay attention to the control of reaction temperature and time. Usually the reaction temperature is maintained at room temperature or moderate heating, between about 30 ° C and 60 ° C. Heating can speed up the reaction rate, but too high temperature may cause side reactions to occur. The reaction time depends on the monitoring of the reaction process. It is usually tracked by thin-layer chromatography (TLC). The reaction can only be stopped when the raw material point disappears or the expected reaction degree is reached.
After the reaction is completed, the reaction mixture is post-treated. The organic phase is first extracted with an organic solvent to separate the organic phase and remove insoluble solid impurities, such as urea by-products produced by the condenser. The organic phase is then washed with appropriate acid and alkali solutions to remove unreacted bases or residual condensers. Subsequently, the organic phase is dried with anhydrous sodium sulfate or magnesium sulfate to remove moisture. Finally, the organic solvent is removed by reduced pressure distillation to obtain the crude product. The crude product needs to be further purified. Column chromatography can be used. Silica gel is used as the stationary phase, and a suitable proportion of petroleum ether and ethyl acetate mixture is used as the mobile phase. After elution, the target fraction is collected to obtain a pure 1-amino-N - [6-cyano-5 - (trifluoromethyl) -3-pyridyl] cyclobutanecarboxamide product. Although this synthesis method is complicated, each step is carefully operated to obtain satisfactory yield and purity.
What is the safety and toxicity of 1-amino-N- [6-cyano-5- (trifluoromethyl) -3-pyridyl] cyclobutanecarboxamide?
1 - amino - N - [6 - cyano - 5 - (trifluoromethyl) -3 - pyridyl] cyclobutanecarboxamide, this is an organic compound. Its safety and toxicity are related to many aspects, so let me tell you in detail.
Regarding toxicity testing, in animal experiments, if this substance is applied in large doses, it may have adverse reactions. For example, it may affect the digestive system of animals, causing loss of appetite, vomiting, diarrhea, etc. The compound interferes with the normal operation of the digestive system, affecting nutrient absorption and waste excretion.
It may also have effects on the nervous system. Animals may have abnormal behavior, such as excessive excitement, malaise, or even convulsions, which may affect the transmission of neurotransmitters and interfere with nervous system signaling due to compounds.
In the reproductive system, high-dose exposure may damage reproductive function. Female animals may have reduced conception rates and abnormal fetal development; male animals or sperm quality decline, all due to compounds interfering with germ cell production and development.
When it comes to safety, if operated and used according to norms, the risk can be controlled. In industrial production, workers strictly follow safety procedures and wear protective equipment, such as protective clothing, gloves, masks, etc., to reduce the risk of exposure.
In terms of the environment, if this compound is released in the environment, its degradability needs to be considered. If it is difficult to degrade or accumulates in the environment, it is harmful to the ecology. However, the ecological risk can be reduced by reasonable treatment to ensure that it does not enter the environment in large quantities.
In short, the safety and toxicity of 1 - amino - N - [6 - cyano - 5 - (trifluoromethyl) -3 - pyridyl] cyclobutanecarboxamide vary according to dose, exposure route, environmental conditions, etc. Rational use and proper management can ensure that it is within the acceptable risk range.
What is the market outlook for 1-amino-N- [6-cyano-5- (trifluoromethyl) -3-pyridyl] cyclobutanecarboxamide?
1 - amino - N - [6 - cyano - 5 - (trifluoromethyl) -3 - pyridyl] cyclobutanecarboxamide is an organic compound with potential application prospects in the field of medicine and pesticide research and development due to its specific chemical structure.
In the field of medicine, the structural properties of this compound may endow it with unique biological activities. Today's drug development often focuses on new molecular entities to find therapeutic drugs with high efficiency and low toxicity. This compound may be optimized and modified to interact with specific biological targets, such as protein receptors or enzymes associated with certain diseases. If it can precisely act on specific targets of tumor cells, it may be developed as an anti-tumor drug. Looking back at the history of drug research and development in the past, many compounds with specific heterocyclic structures have been deeply studied and modified to eventually become effective therapeutic drugs. This compound contains pyridyl and cyclobutane structures, which may provide unique advantages for its combination with targets. However, its actual activity and drug potential still need to be verified by cell experiments, animal experiments and other studies.
In the field of pesticides, because it contains groups such as cyanide and trifluoromethyl, it may have good insecticidal and bactericidal activities. Trifluoromethyl can enhance the lipophilicity of compounds, making it easier to penetrate biofilms and improve biological activity and stability. The existence of cyanide groups may also affect the way compounds interact with targets in pests and pathogens. In the past research and development of pesticides, many compounds containing such groups had good biological activity. For example, some new insecticides and fungicides, by combining special groups in the structure with the targets of key physiological processes of pests and pathogens, interfere with their normal physiological functions and achieve the purpose of preventing and controlling pests and diseases. This compound may be further studied by structure-activity relationship to optimize its activity and develop into a new type of pesticide product.
However, its market prospect also faces challenges. The research and development of new drugs and new pesticides takes a long time and requires a lot of investment. From basic research to product launch, strict experimental and approval processes are required. And the market competition is fierce. To stand out, it is necessary to demonstrate unique advantages, such as higher activity, lower toxicity, and better environmental compatibility.