Chemical Formula | C16H14FN3O2 |
Appearance | Solid (predicted) |
Boiling Point | 453.5±45.0 °C at 760 mmHg (predicted) |
Melting Point | 130 - 132 °C |
Logp | 2.75 (predicted) |
Solubility | Soluble in organic solvents like DMSO |
Density | 1.34±0.1 g/cm³ at 25 °C (predicted) |
Vapor Pressure | 0.0±1.1 mmHg at 25 °C (predicted) |
Pka | 4.59±0.20 (predicted) |
Chemical Formula | C16H14FN3O2 |
Appearance | Solid (likely, based on similar compounds) |
Solubility In Water | Low (due to non - polar aromatic and ester groups) |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform (expected for this type of compound) |
Logp | Positive (indicating lipophilicity, due to aromatic and ester moieties) |
What are the main uses of ethyl 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboxylate?
1 - (2-cyanoethyl) -1H-pyrrolido [3,4-b] pyridine-3-carboxylic acid ethyl ester, which is an important compound in the field of organic synthesis. Its main uses are diverse, and it is a key drug synthesis intermediate in the field of medicinal chemistry. Many biologically active drug molecules are constructed, and it is often used as a starting material. Due to the specific chemical structure of this compound, it can endow drug molecules with unique pharmacological properties and activities, and drugs with different therapeutic effects can be obtained by modifying and derivatizing its structure.
In the field of organic synthesis chemistry, it is also an important building block for the construction of complex pyridine-pyrrole compounds. Through a variety of chemical reactions, such as nucleophilic substitution, cyclization reactions, etc., organic compounds with rich structures and different functions can be cleverly constructed, greatly expanding the diversity and complexity of organic synthesis.
In the field of materials science, through rational design and modification, it may exhibit special optical and electrical properties, and then be applied to the preparation of organic optoelectronic materials, such as organic Light Emitting Diode (OLED), organic solar cells and other fields, opening up a broad space for the research and development of new functional materials.
In addition, in chemical biology research, it may be used as a tool molecule to explore the biochemical processes and molecular mechanisms in organisms by means of their interaction with biological macromolecules, providing a powerful means to reveal the mysteries of life.
In summary, 1 - (2 - cyanoethyl) - 1H - pyrrolo [3,4 - b] pyridine - 3 - carboxylate ethyl ester plays an important role in many scientific research and application fields, and its use is continuously expanded and deepened with the deepening of research and technological development.
What are the synthesis methods of ethyl 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboxylate?
To prepare 1- (2-cyanoethyl) -1H-pyrrolido [3,4-b] pyridine-3-carboxylic acid ethyl ester, there are various methods.
First, pyrrolido [3,4-b] pyridine can be used as a starting point. Under specific conditions, it can be substituted with a compound containing cyanoethyl with a suitable reagent to introduce cyanoethyl group, and then the structure of carboxylic acid ethyl ester can be added to the third position of the pyridine ring through a series of reactions such as acylation. This process requires careful selection of reaction conditions and reagents, and control of temperature, pH and other factors to increase the yield and selectivity of the reaction.
Second, or from compounds with similar structures, by rearrangement, condensation and other reactions, the structure of the target molecule can be gradually constructed. First, through the rearrangement reaction, the molecular structure undergoes a specific transformation to obtain an intermediate with a preliminary framework, and then through the condensation reaction, the cyanoethyl group and ethyl carboxylate are partially connected. After subsequent purification and modification, the final product can be obtained.
Third, it can also be achieved by the strategy of multi-step series reaction. With suitable starting materials, in the same reaction system, through ingenious design, the addition, cyclization, substitution and other reactions occur in sequence, and the target molecule is constructed in one stop. This approach requires a thorough understanding of the reaction mechanism and precise regulation of the reaction process in order to achieve the purpose of efficient synthesis. Each method has its own advantages and disadvantages. If you want to make this product, you should weigh it carefully according to the actual situation, such as the availability of raw materials, the difficulty of reaction, and the consideration of cost. Only by choosing the most suitable method can you get twice the result with half the effort and get a pure 1- (2-cyanoethyl) -1H-pyrrolido [3,4-b] pyridine-3-carboxylate ethyl ester.
What are the physical and chemical properties of ethyl 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboxylate?
Ethyl 1- (2-cyano) -1H-indazolo [3,4-b] pyridine-3-carboxylate is a key compound in the field of organic synthesis. This compound has diverse physical and chemical properties and is of great significance in the fields of organic synthesis and medicinal chemistry.
From the appearance point of view, 1- (2-cyano) -1H-indazolo [3,4-b] pyridine-3-carboxylate is usually white to pale yellow crystalline powder with fine texture. This appearance characteristic is convenient for its identification and processing. In experimental operation and industrial production, its purity and quality can be preliminarily determined by its appearance.
Discusses solubility. The compound exhibits good solubility in common organic solvents such as dichloromethane, N, N-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO). This property is crucial in organic synthesis because many organic reactions need to be completed in a solution system. Good solubility allows the reactants to be uniformly mixed, thereby improving the reaction efficiency and yield. In dichloromethane, for example, it dissolves rapidly to form a clear solution, which lays a good foundation for subsequent reactions.
In terms of melting point, 1- (2-cyano) -1H-indazolo [3,4-b] pyridine-3-carboxylate ethyl ester has a specific melting point range, which can be used to identify its purity. When the purity of the compound is high, the melting point range is narrow and close to the theoretical value; if it contains impurities, the melting point will be reduced and the melting range will be wider. By accurately measuring the melting point, the quality of the product can be effectively controlled.
In terms of stability, the compound is relatively stable in a dry environment at room temperature and pressure. However, attention should be paid to its sensitivity to acid-base environments. In case of strong acid or base, the ester group, cyano group and other functional groups in its structure may react, resulting in structural changes, affecting its properties and applications. Therefore, during storage and use, it is necessary to ensure that the environment is suitable and avoid contact with acid and base substances.
In addition, the nitrogen, oxygen and other heteroatoms in the molecule of 1- (2-cyano) -1H-indazolo [3,4-b] pyridine-3-carboxylate ethyl ester give it a certain polarity, which affects its physical and chemical properties, such as affecting the intermolecular forces, which in turn affect its melting point, boiling point and solubility.
What is the market price of ethyl 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboxylate?
I have not heard of the confirmed price of "1- (2-cyanoethyl) -1H-pyrrolio [3,4-b] ethyl pyridine-3-carboxylate" on the market. However, if you want to estimate its price, you should consider various factors.
First, the cost of raw materials. The starting materials and reagents used to make this compound must be high if the raw materials are rare, difficult to harvest or complicated. Such as cyanoethyl-related raw materials, if their sources are limited, the cost will increase.
Second, the difficulty of synthesis. The synthesis path of this compound may require multiple steps, and each step may have strict reaction conditions, such as specific temperature, pressure, catalyst, etc. If special equipment is required in the synthesis, or the reaction yield is not high, repeated refining and purification will increase its cost, resulting in a high market price.
Third, the supply and demand of the market. If this product is widely needed in the fields of medicine, chemical industry, etc., but the supply is small, according to the rules of the market, the price will tend to be higher. On the contrary, if the demand is small and the supply exceeds the demand, the price may be low.
Fourth, the difference in quality. Made by different manufacturers, due to different processes, the quality factors such as product purity and impurity content are different. High quality, because it is more suitable for high-end applications, the price may be higher than ordinary quality.
In summary, the market price of "ethyl 1- (2-cyanoethyl) -1H-pyrrolo [3,4-b] pyridine-3-carboxylate", or fluctuating due to the above factors, is difficult to determine the exact price.
What are the safety and toxicity of ethyl 1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b] pyridine-3-carboxylate?
1-%282-%E6%B0%9F%E8%8B%84%E5%9F%BA%29-1H-%E5%90%A1%E5%94%91%E5%B9%B6%5B3%2C4-b%5D%E5%90%A1%E5%95%B6-3-%E7%BE%A7%E9%85%B8%E4%B9%99%E9%85%AF%E7%9A%84%E5%AE%89%E5%85%A8%E6%80%A7%E5%92%8C%E6%AF%92%E6%80%A7%E4%B9%9F%E5%85%B3%E4%B8%8E%E5%85%B6%E5%88%86%E5%AD%90%E7%BB%93%E6%9E%84%E5%92%8C%E5%8A%A8%E5%88%B6%E7%9B%B8%E5%85%B3%E3%80%82
The safety of this compound requires consideration of multiple ends. From the structural point of view, it contains specific groups, or has special chemical activity. Such as vinyl, reactive, or can participate in a variety of chemical reactions, under specific conditions, or cause unexpected reactions, affecting safety.
As for its toxicity, it may be related to the route of exposure. If ingested orally, it is in the digestive system, or due to interaction with biomolecules in the body, causing physiological dysfunction. When inhaled, it enters the body through the respiratory tract, or causes irritation or damage to lung tissue, or even affects the whole body through blood circulation. Skin contact, or penetration may cause damage to the skin and subcutaneous tissues.
However, according to the name, it is difficult to determine the specific safety and toxicity details. To accurately evaluate, it is necessary to conduct professional experiments, such as cytotoxicity experiments, to observe its impact on the growth and metabolism of different cell lines; animal experiments, to observe the reactions caused by it in the whole organism, including acute toxicity, chronic toxicity, teratogenicity, carcinogenesis and other effects. Comprehensive experimental data and related studies can obtain more accurate safety and toxicity conclusions.