3-Pyridinecarboxylic acid 2-[[3-(trifluoromethyl)phenyl]-amino]-2-(4-morpholinyl)-ethyl ester

The Chinese name of this compound is 3-pyridinecarboxylic acid 2- [[3- (trifluoromethyl) phenyl] -amino] -2 - (4-morpholinyl) -ethyl ester. The chemical structure of the compound is as follows:
- The core structure of the compound is ethyl pyridinecarboxylate. The pyridine ring acts as the parent nucleus and is connected with a formate ethyl group at the 3rd position, namely -COOCH -2 CH.
- At the 2nd position of ethyl pyridinecarboxylate, a more complex substituent is connected. This substituent consists of two parts, one part is [[3 - (trifluoromethyl) phenyl] -amino], wherein the 3-position of the phenyl group has a trifluoromethyl-CF, and the phenyl group is connected to the 2-position of the pyridine ring through the amino-NH-; the other part is 2 - (4 - morpholinyl), that is, 4 - morpholinyl is connected to the 2-position of the pyridine ring through a methyl-CH ² -, and the 4 - morpholinyl is a six-membered heterocycle containing nitrogen and oxygen. Overall, the compound is composed of a pyridine ring, ethyl formate group, amino group containing trifluoromethylphenyl group, and morpholine group through a specific connection method, presenting a unique chemical structure, which may have potential research and application value in the fields of organic synthesis and medicinal chemistry.

3-Pyridinecarboxylic acid 2 - [ [ 3 - (trifluoromethyl) phenyl] -amino] -2 - (4 - morpholinyl) -ethyl ester has specific physical properties. Its properties may be white to off-white crystalline powders, because many similar organic esters often appear in this state. In the past, many compounds containing pyridine and morpholine structures have similar appearances.
Its melting point is probably within a certain range. Due to the presence of pyridine rings, morpholinyl groups, and benzene ring structures containing trifluoromethyl groups in the molecule, these structures interact, causing the intermolecular forces to exhibit a specific strength, so the melting point may be around [X] ° C. This value is based on the summary of the melting point of similar complex organic esters. The aromatic properties of the pyridine ring, the cyclic structural rigidity of the morpholinyl group, and the strong electron-absorbing properties of the trifluoromethyl group jointly affect the molecular arrangement and force.
In terms of solubility, this substance may have certain performance in organic solvents. In view of the fact that its molecules contain ester groups, amino groups, morpholinyl groups, etc., it has a certain polarity. In polar organic solvents such as dichloromethane and chloroform, they may have good solubility. Due to the principle of similar miscibility, the polarity of these solvents is in line with the polar part of the compound, and they can form intermolecular forces to dissolve. In water, the solubility may be poor, because the hydrophobic pyridine ring, benzene ring and trifluoromethyl part account for a large proportion, which will hinder its interaction with water molecules.
And because it contains a variety of functional groups, the stability is also different in different environments. In the case of strong acids and bases, ester groups or hydrolysis, amino groups and morpholinyl groups may also react, changing their chemical structure and physical properties; in light and high temperature environments, due to the reactivity of trifluoromethyl groups and the photosensitivity of benzene and pyridine rings, or to cause structural changes, resulting in changes in physical properties, such as color darkening, crystal transformation, etc.

3-Pyridinecarboxylic acid 2 - [ [ 3 - (trifluoromethyl) phenyl] -amino] -2 - (4 - morpholinyl) -ethyl ester is widely used in the field of medicine. It may show miraculous effects in the way of anti-tumor. The unique structure of this compound may act on the metabolic pathway of tumor cells in a special way, or interfere with the transduction of their proliferation signals, thereby inhibiting the growth and spread of tumor cells.
It may also be useful in the treatment of neurological diseases. Because of its structure, it may affect the transmission of neurotransmitters in the nervous system and the excitability of nerve cells. Or can regulate the release and uptake of neurotransmitters, correct the transmission deviation of nerve signals, and alleviate the symptoms of neurological diseases such as Parkinson's and Alzheimer's.
In the field of cardiovascular diseases, it also has potential functions. Or it can regulate the function of vascular endothelial cells, affect the contraction and relaxation of blood vessels, stabilize blood pressure, and regulate blood lipids, helping to maintain the homeostasis of the cardiovascular system.
In terms of immune regulation, this compound may regulate the body's immune response. Or it can activate immune cells, enhance the body's defense ability; or inhibit excessive immune response, and prevent the occurrence of autoimmune diseases. It is actually a compound with significant application potential in many fields.

To prepare 3-pyridinecarboxylic acid 2 - [[3- (trifluoromethyl) phenyl] -amino] -2 - (4-morpholinyl) -ethyl ester, the synthesis method requires a multi-step reaction.
The starting material is ethyl 3-pyridinecarboxylate and an amine compound containing a specific substituent. First, under appropriate reaction conditions, ethyl 3-pyridinecarboxylate interacts with alkali reagents such as sodium hydride to deprotonate the α-carbon atom of the ethyl ester to form nucleophilic carboanions.
At the same time, compounds containing 3- (trifluoromethyl) phenyl and amino groups are prepared. The desired substituents can be introduced by reacting 3- (trifluoromethyl) aniline with appropriate halogenated hydrocarbons or sulfonates, so that the nitrogen atom of the amino group becomes a nucleophilic center.
Then, the above-formed anion is mixed with a compound containing 3- (trifluoromethyl) phenyl and amino groups, and in a suitable solvent such as N, N-dimethylformamide, nucleophilic substitution is carried out, and the two are connected to form an intermediate product containing a 3-pyridinecarboxylic acid skeleton with a 3- (trifluoromethyl) phenyl-amino group.
This intermediate is then reacted with a 4-morpholino compound. The 4-morpholino compound can be activated first, such as by reacting with sulfonyl chloride to convert to a more active sulfonate derivative. After that, under alkali catalysis, the intermediate is nucleophilically substituted with the activated 4-morpholino compound and reacted at mild temperatures to obtain the target product 3-pyridinecarboxylic acid 2- [3 - (trifluoromethyl) phenyl] -amino] -2 - (4 - morpholino) -ethyl ester. During the reaction process, the reaction conditions, including temperature, time, reactant ratio, and catalyst dosage, need to be finely regulated, and the product needs to be separated and purified at each step, such as column chromatography, recrystallization, etc., to ensure the purity and yield of the product.

3-Pyridinecarboxylic acid 2 - [[3 - (trifluoromethyl) phenyl] -amino] -2 - (4 - morpholinyl) -ethyl ester, the safety of this substance is related to many parties. Its chemical structure is unique, containing parts such as pyridine, trifluoromethyl, phenyl, amino and morpholinyl. From a toxicological point of view, due to the presence of fluorine atoms, some fluorinated organic compounds or potential toxicity, it is necessary to explore the impact on organisms, such as long-term exposure or ingestion, or affect human physiological functions, such as interfering with the endocrine system. For environmental safety, after entering the environment, its degradability is the key. If it is difficult to degrade, or accumulates in the environment, it will affect the ecological balance and cause harm to soil and water organisms. There are also safety considerations in the production and use process. During production, raw materials and intermediate products may be dangerous, such as certain organic reagents that are flammable, explosive or corrosive, and improper operation can easily lead to safety accidents. In the use process, if used in medicine and other fields, improper control of drug residues or impurities will affect the efficacy and safety. In short, the safety of this substance needs to be considered through rigorous toxicological experiments, environmental assessments and production specifications to ensure that its application has no significant risks to life and the environment.