What is the chemical structure of 4- (4-amino-3-fluorophenoxy) -N-methylpyridine-2-formamide?

The chemical structure of 4- (4-hydroxy-3-methoxybenzaldehyde) -N-methylpiperidine-2-formate ethyl ester is an important object of investigation in the field of organic chemistry. The structure of this compound is composed of a number of key parts.

First look at its core structure, the 4-hydroxy-3-methoxybenzaldehyde part, above the benzene ring, is connected to the hydroxyl group (-OH) at the 4th position, and the methoxy group (-OCH) at the 3rd position, and the benzene ring is connected to the aldehyde group (-CHO). The aldehyde group has high reactivity and can be used as a key check point in many chemical reactions, participating in nucleophilic addition, redox and other reactions. The presence of hydroxyl and methoxy groups also has a significant impact on the electron cloud distribution of the benzene ring, which in turn alters the chemical properties and reactivity of the part.

Furthermore, the N-methyl piperidine part, the piperidine ring is a nitrogen-containing six-membered heterocyclic ring, and the nitrogen atom is connected with methyl (-CH 🥰). The structure of the piperidine ring endows the compound with a specific spatial configuration and alkalinity. The lone pair of electrons on the nitrogen atom makes the piperidine ring alkaline to a certain extent, which can react with acids to form salts, and the ring structure of the piperidine ring plays an important role in the stability of molecular conformation and the interaction with other molecules.

Finally, the 2-ethyl formate part is connected to the 2-position of the piperidine ring with the ethyl formate group (-COOCH -2 CH). The existence of ester groups, on the one hand, adds the characteristics of ester compounds to the compound, such as hydrolysis and alcoholysis; on the other hand, its long chain structure also affects the physical and chemical properties of the molecule, such as solubility and steric resistance.

In summary, the chemical structure of 4- (4-hydroxy-3-methoxybenzaldehyde) -N-methylpiperidin-2-ethyl formate is composed of parts with different chemical properties. The interaction of each part endows the compound with unique physical and chemical properties and reactivity, and shows potential application value in organic synthesis, medicinal chemistry and other fields.

What are the main uses of 4- (4-amino-3-fluorophenoxy) -N-methylpyridine-2-formamide?

4- (4-Amino-3-methoxybenzoyl) -N-methylpiperidin-2-carboxylate ethyl ester, this compound has a wide range of uses.

In the field of medicinal chemistry, it can be used as a key intermediate to create many biologically active drugs. Taking the drug development for the treatment of neurological diseases as an example, due to the unique interaction between its structure and neurotransmitter receptors, it may be possible to modify the structure of this compound to enhance its affinity and selectivity for specific neurotransmitter receptors, and then develop highly effective therapeutic drugs for neurodegenerative diseases, mental disorders and other diseases.

In the field of organic synthesis chemistry, this compound can be used as a basic module for the construction of more complex organic molecules due to its diverse functional groups. Chemists can use various organic reactions, such as esterification reactions, amidation reactions, nucleophilic substitution reactions, etc., to derive and modify them to construct a library of organic compounds with rich structures and different functions, providing a material basis for research directions such as the development of new materials and the total synthesis of natural products.

In addition, in pharmacokinetic studies, this compound may serve as a probe molecule to help researchers deeply explore the metabolic pathways and transformation laws of drugs in vivo. Due to its structural characteristics, its metabolic process in the body may be similar to that of some endogenous substances or drugs. By tracking its metabolites and metabolic processes, the understanding of the drug metabolism mechanism can be improved, and the basis for rational drug design and optimization of drug delivery regimens can be provided.

What is the synthesis method of 4- (4-amino-3-fluorophenoxy) -N-methylpyridine-2-formamide?

To prepare 4- (4-amino-3-fluorophenoxy) -N-methylpyridine-2-formamide, the following ancient method can be used.

First take the appropriate 4-halo-3-fluorophenol, and 4-amino-2-halo-pyridine in a suitable solvent, such as dimethylformamide (DMF) or dimethyl sulfoxide (DMSO), add an appropriate amount of base, such as potassium carbonate or sodium carbonate, heat and stir to cause nucleophilic substitution reaction to obtain 4- (4-amino-3-fluorophenoxy) -2-halo-pyridine. This step requires temperature control within an appropriate range, depending on the activity of the halogenate used, between about 60 and 100 degrees Celsius. When the number of reactions occurs, thin-layer chromatography (TLC) is used to monitor the reaction process until the raw material point disappears.

Then, the obtained 4- (4-amino-3-fluorophenoxy) -2-halogenated pyridine is reacted with methylamine in a solvent. The solvent can be methanol or ethanol. It is also necessary to add alkali catalysis, such as triethylamine. The reaction is reacted at room temperature or slightly heated to replace the halogen atom with an amino group to obtain 4- (4-amino-3-fluorophenoxy) -N-methylpyridine. This step of reaction is relatively mild, but it is also necessary to pay attention to the reaction conditions. The structure of the product can be confirmed by mass spectrometry or nuclear magnetic resonance spectroscopy after several reactions.

Finally, 4- (4-amino-3-fluorophenoxy) -N-methylpyridine is reacted with a suitable formylating agent, such as ethyl formate or formamide, under the catalysis of a base. The base can be selected from sodium hydride or potassium tert-butyl alcohol. It is gradually reacted at low temperature to room temperature, so that the 2-position of pyridine is introduced into formyl group, and then through hydrolysis, amidation and other steps, the target product 4- (4-amino-3-fluorophenoxy) -N-methylpyridine-2-formamide is obtained. After each step of the reaction, separation and purification methods, such as column chromatography and recrystallization, are required to improve the purity of the product and ensure the quality of the final product.

What are the physical and chemical properties of 4- (4-amino-3-fluorophenoxy) -N-methylpyridine-2-formamide

4- (4-hydroxy-3-methoxybenzaldehyde) -N-methylpyridine-2-formamide, which has a variety of physical and chemical properties. Its appearance is often crystalline powder, white to off-white, stable in sunlight, not easily affected by light and rapidly decompose or change color.

When it comes to solubility, it can be soluble in common organic solvents, such as ethanol and acetone. It has good solubility in ethanol and can quickly form a uniform solution after stirring. Because its structure contains polar groups, it can form hydrogen bonds with polar solvent molecules such as ethanol to enhance interaction; while its solubility in water is low, because the overall hydrophobic part of the molecule accounts for a large proportion. The melting point of

is a fixed range, about [X] ℃ - [X] ℃. This characteristic can be used for identification and purity detection. If the sample purity is high, the melting point range is narrow and close to the theoretical value, the presence of impurities will reduce the melting point and widen the melting range.

In terms of chemical properties, its aldehyde group is active and can undergo a variety of reactions. It can react with nucleophiles, such as with alcohols under acidic conditions to form acetals; it can be oxidized. Weak oxidants such as Torun reagent are oxidized to carboxylic acids, and strong oxidants such as potassium permanganate may also affect the structure of benzene rings. The pyridine ring is alkaline and can react with acids to form salts to improve its solubility and stability. Under certain conditions, electrophilic substitution reactions can also occur, and the substitution check point is related to the electronic effect of the substituents on the pyridine ring. The amide bond is relatively stable, but it can hydrolyze under strong acid or strong base heating conditions to generate corresponding carboxylic acids and amines.

What is the market prospect of 4- (4-amino-3-fluorophenoxy) -N-methylpyridine-2-formamide?

4- (4-amino-3-chlorophenoxy) -N-methylpyridine-2-formamide, this substance has both opportunities and challenges in terms of market prospects.

Looking at its characteristics, this compound has a unique structure and may have potential uses in medicine, pesticides and other fields. In the field of medicine, the pyridine ring, phenyl ring and amino and amide groups in its structure may endow it with specific biological activities, or can be used to develop new drugs, such as inhibitors targeting specific disease targets, which are expected to provide new strategies for the treatment of related diseases. This is the bright side of its market prospects.

However, its market expansion also faces many obstacles. In terms of synthesis process, if you want to prepare high-purity 4- (4-amino-3-chlorophenoxy) -N-methylpyridine-2-formamide, or the problems of complicated steps and high cost, this will limit its large-scale production, which will affect the market supply. Furthermore, the market competition is fierce. If other similar structural compounds have occupied the market share in related fields, this substance needs to have significant advantages in performance and cost.

And at the level of regulations and policies, whether it is medical or pesticide use, it needs to pass strict approval, which requires a long time and large investment. If it cannot meet the regulatory requirements, its marketing activities will be difficult. Only by overcoming synthesis problems, enhancing product competitiveness and complying with regulations can we gain a place in the market and open up broader prospects.