Chemical Formula | C15H11F2N3 |
Molecular Weight | 271.26 |
Appearance | Solid (usually white to off - white powder) |
Melting Point | Data may vary, need specific experimental determination |
Boiling Point | Data may vary, need specific experimental determination |
Solubility In Water | Low solubility, likely sparingly soluble |
Solubility In Organic Solvents | Soluble in some common organic solvents like dichloromethane, chloroform |
Pka | Data may vary, need specific experimental determination |
Logp | Data may vary, need specific experimental determination |
Density | Data may vary, need specific experimental determination |
Chemical Formula | C15H11F2N3 |
Molecular Weight | 271.27 |
Appearance | Solid (predicted) |
Boiling Point | Estimated around 415.4 °C at 760 mmHg |
Solubility | Soluble in organic solvents like DMSO, less soluble in water |
Logp | Estimated to be around 3.5 (lipophilic) |
Pka | pKa of the amine group is around 4 - 5 (estimated) |
Flash Point | Estimated around 205 °C |
Density | Estimated around 1.37 g/cm³ |
What is the chemical structure of 5- (3,5-difluorobenzyl) -1H-indazole-3-amine?
5- (3,5-diethylamino) -1H-indole-3-formaldehyde, this is an organic compound. Its chemical structure is constructed on the indole parent nucleus.
In this structure, the indole ring is the core structure, and 1H-indole indicates that the 1 position of the indole ring is occupied by hydrogen atoms. 3-formaldehyde means that the 3 position of the indole ring is connected with an aldehyde group (-CHO). The aldehyde group is a functional group with high reactivity. It often plays a key role in organic synthesis reactions and can participate in many reactions such as oxidation, reduction, and condensation.
Furthermore, 5- (3,5-diethylamino), representing the 5th position of the indole ring, is connected with a substituent, which is 3,5-diethylamino. Specifically, this substituent contains two ethylamino groups (-N (C ² H) -2) at positions 3,5, respectively. The introduction of ethylamino groups will affect the electron cloud distribution and spatial structure of the indole ring, thereby altering the physical and chemical properties of the compound. Changes in these properties may affect its application potential in pharmaceutical chemistry, materials science, etc. For example, in drug development, its structural characteristics or determine the interaction mode of the compound with a specific biological target, thereby exhibiting a specific biological activity.
What are the main uses of 5- (3,5-difluorobenzyl) -1H-indazole-3-amine?
5- (3,5-diethylamino) -1H-pyrazole-3-carboxylic acid, which has a wide range of uses. In the field of medicine, it is a key intermediate for drug synthesis. Through specific chemical reactions, it can be cleverly combined with other compounds to synthesize a variety of drugs with unique pharmacological activities. For example, in the synthesis process of some drugs used to treat cardiovascular diseases, 5- (3,5-diethylamino) -1H-pyrazole-3-carboxylic acid plays an indispensable starting material role, which can help build the core skeleton structure of the drug, greatly affecting the compatibility and efficacy of the drug with the target.
In the field of pesticides, it also has important applications. It can be used as a key intermediate for the synthesis of high-efficiency and low-toxicity pesticides. Through chemical modification and modification, the derived pesticides have excellent inhibitory and killing effects on specific pests or pathogens, and have relatively little impact on the environment. For example, some new pesticides, after using this substance synthesis, can precisely act on the specific physiological mechanism of pests, effectively control the number of pest populations, and reduce the harm to non-target organisms.
In the field of materials science, 5- (3,5-diethylamino) -1H-pyrazole-3-carboxylic acid can participate in the preparation of some functional materials. For example, when synthesizing a polymer material with special optical or electrical properties, it can be introduced into the polymer structure as a functional monomer, imparting unique properties to the material, such as improving the fluorescent properties or electrical conductivity of the material, so as to meet the needs of different fields for special material properties.
What is the synthesis method of 5- (3,5-difluorobenzyl) -1H-indazole-3-amine?
To prepare 5- (3,5-difluorobenzyl) -1H-pyrazole-3-carboxylic acid, the method is as follows:
First, take 3,5-difluorobenzyl halogen and the corresponding pyrazole derivative, add base catalysis in an appropriate solvent, and make it substitution reaction. This reaction requires temperature control and stirring, so that the halogen atom of benzyl halogen is combined with the specific position of the pyrazole derivative to obtain 5- (3,5-difluorobenzyl) -1H-pyrazole intermediate.
Then, this intermediate is oxidized with a suitable oxidant. A mild oxidizing agent is often selected. Under suitable reaction conditions, the specific group of pyrazole is converted into carboxyl groups, and the final product is 5- (3,5-difluorobenzyl) -1H-pyrazole-3-carboxylic acid.
During the reaction process, the choice of solvent is quite critical, and it needs to be selected according to the characteristics of the reactants and the reaction mechanism, so as to facilitate the smooth reaction. Factors such as the type and dosage of base, reaction temperature and time also have a great impact on the yield and purity of the reaction. It needs to be carefully adjusted and optimized to obtain ideal results.
What are the physical and chemical properties of 5- (3,5-difluorobenzyl) -1H-indazole-3-amine?
5- (3,5-diethylamino) -1H-indole-3-formaldehyde is an organic compound with unique physical and chemical properties. In terms of physical properties, it may be a solid under normal conditions, and the melting point and boiling point are determined by the intermolecular forces and structures. Due to the interaction between the molecule containing indole ring and aldehyde group, the intermolecular hydrogen bond, van der Waals force, etc., the melting point and boiling point are in a specific range. Appearance may be white to light yellow crystalline powder, because it contains a conjugated system, it absorbs light of specific wavelengths and has a certain color. From the chemical properties, aldehyde groups have high reactivity and can undergo many reactions. For example, it can react with alcohols under acid catalysis to generate acetal products; it can participate in oxidation reactions, and under the action of appropriate oxidants, aldehyde groups can be oxidized to carboxylic groups to generate corresponding carboxylic acids; it can also undergo nucleophilic addition reactions with amine compounds to form Schiff base products. The indole ring also imparts specific reactivity to the compound, which can undergo electrophilic substitution reactions under suitable conditions. Due to the electron cloud density distribution of the indole ring, the substitution reaction mostly occurs at specific locations. In addition, the compound has a certain alkalinity due to its diethylamino group, and can combine with protons under acidic conditions to form salt compounds. This property may affect its solubility and reactivity in different solvents.
What is the price range of 5- (3,5-difluorobenzyl) -1H-indazole-3-amine in the market?
I haven't heard of the market price of "5- (3,5-diethylamino) -1H-indole-3-formaldehyde". This is a fine chemical raw material or pharmaceutical intermediate, and its price often varies depending on quality, purity, supply and demand, and market conditions.
If its quality is excellent, its purity is high, and the market demand is strong and the supply is small, the price will be high; conversely, if the quality is normal, the purity is flat, and the market supply is sufficient and the demand is slow, the price will be low.
To know its exact price, you should consult chemical raw material suppliers, traders, or check it in detail on the chemical product trading platform. However, I have not personally involved in this industry, and it is difficult to determine the range of its price. And the chemical market is changing, and the price also fluctuates accordingly, which cannot be constant.