What is the chemical structure of Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate?

Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate, which is the English name of an organic compound. According to its naming rules, its chemical structure can be inferred as follows:
This compound contains an amino group (-NH ²), which is connected to 4-fluorobenzyl (4-fluorobenzyl), and this part of the structure is - (CH ³) -C H -F, in which the fluorine atom is attached to the para-position of the benzyl phenyl ring. The amino group is then connected to a 2-nitrophenyl (2-nitrophenyl), and the nitro group (-NO ³) is located adjacent to the position where the phenyl ring is connected to the amino group. The whole phenyl group is connected to ethyl carbamate, and the structure of ethyl carbamate is -O-CO-NH-CH ² CH, in which the oxygen atom of the ester group is connected to the benzene ring.
In summary, the chemical structure of this compound is composed of 4-fluorobenzyl, 2-nitrophenyl and carbamate ethyl groups through a specific connection method, and the structures of each part are combined with each other, so the complete chemical structure of Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate is obtained.

What are the main uses of Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate?

Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate, the Chinese name is often 4- [ (4-fluorobenzyl) amino] -2-nitrophenylcarbamate ethyl ester, this compound is widely used in the field of pharmaceutical research and development, and is a key intermediate in organic synthesis.

In the field of medicinal chemistry, it can be used as a starting point for the optimization of lead compounds. Due to its structure, specific functional groups, such as fluorobenzyl, nitro and carbamate groups, can interact with targets in vivo in a specific way. For example, by precisely matching the active check point, its affinity with receptors or enzymes can be adjusted to improve drug efficacy and selectivity. In the process of drug development for specific diseases, such as tumors and neurological diseases, researchers modify the structure of the compound, explore its binding mode with the target, and then develop high-efficiency and low-toxicity innovative drugs.

In the field of organic synthesis, as an important intermediate, it can participate in many chemical reactions. For example, the ethyl carbamate moiety can be converted into other functional groups through hydrolysis, aminolysis and other reactions, expanding the structural diversity of compounds. The 4- [ (4-fluorobenzyl) amino] -2-nitrophenyl moiety can be further derived through nucleophilic substitution, reduction and other reactions to synthesize complex organic molecules, providing a diverse structural framework for new drug creation and total synthesis of natural products, which is of great significance in the development of organic synthetic chemistry.

What are the synthesis methods of Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate?

Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate is an organic compound. There are many methods for synthesizing this compound. The following are briefly described.

One is to use 4-amino-2-nitrobenzoate ethyl ester as the starting material. First, 4-amino-2-nitrobenzoate ethyl ester is reacted with halogenated hydrocarbons, such as 4-fluorobenzyl halide, in an alkaline environment. The basic reagents can be selected from potassium carbonate, sodium carbonate, etc. The reaction solvents are usually acetonitrile, N, N-dimethylformamide (DMF), etc. When this nucleophilic substitution reaction is carried out, the halogen atom of the halogenated hydrocarbon leaves, and the amino group of 4-amino-2-nitrobenzoate ethyl attacks the benzyl carbon of 4-fluorobenzyl halide, thereby generating Ethyl {4 - [ (4 - fluorobenzyl) amino] - 2 - nitrophenyl} carbamate.

Second, 4-fluorobenzyl amine can be reacted with phosgene or its substitute to make the corresponding isocyanate. After that, the isocyanate is reacted with 2-nitro-4-hydroxybenzoate ethyl ester. The isocyanate of isocyanate reacts with the hydroxyl group of 2-nitro-4-hydroxybenzoate to form the target product.

In addition, 4-nitro-2-halobenzoate ethyl ester can also be used as the raw material. Shilling it reacts with 4-fluorobenzyl amine to form the structure of 4 - [ (4-fluorobenzyl) amino] - 2 - nitrophenyl. Subsequently, by suitable methods, such as reacting with ethyl chloroformate in the presence of a base, the resulting product is converted into Ethyl {4 - [ (4 - fluorobenzyl) amino] - 2 - nitrophenyl} carbamate.

When synthesizing, attention should be paid to the precise control of reaction conditions, such as temperature, reaction time, and the proportion of reactants, which all have a great impact on the yield and purity of the product. And the separation and purification steps after the reaction are also extremely critical. Commonly used methods include column chromatography, recrystallization, etc., to obtain high-purity Ethyl {4 - [ (4 - fluorobenzyl) amino] - 2 - nitrophenyl} carbamate.

What are the physicochemical properties of Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate?

Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate is an organic compound. Looking at its structure, it contains fluorobenzyl, nitro, amino and urethane ethyl groups, which give it unique physical and chemical properties.

In terms of physical properties, such organic compounds are usually solid, and their melting point is closely related to the intermolecular force. There are many polar groups in the molecule, such as nitro and amino groups, which can form hydrogen bonds and other forces, and the melting point is relatively high. However, the specific melting point value needs to be accurately determined by experiments. Its solubility is also affected by the molecular structure. Due to the presence of polar groups, it may have a certain solubility in polar solvents such as ethanol and acetone, but it may have poor solubility in non-polar solvents such as n-hexane.

In terms of chemical properties, nitro groups have strong electron-absorbing properties, which reduce the electron cloud density of the benzene ring and reduce the electrophilic substitution activity on the benzene ring, but make the ortho and para-sites more prone to nucleophilic substitution reactions. The amino group is the power supply radical, which can enhance the electron cloud density of the benzene ring. Under suitable conditions, it can participate in acylation, alkylation and other reactions. The partial stability of ethyl carbamate is acceptable, but in the environment of strong acids or strong bases, hydrolysis reactions may occur to generate corresponding acids, alcohols and amines. The fluorine atom in fluorobenzyl groups has unique electronic effects, which may affect the molecular reactivity and biological activity. This compound may have potential application value in organic synthesis, medicinal chemistry and other fields due to the synergistic effect of multiple groups in the structure.

Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate What are the precautions during use?

Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate is a special chemical substance. During use, many precautions should not be ignored.

Bear the brunt, safety protection is the key. Due to its chemical properties, it may be toxic and irritating. Users must wear appropriate protective equipment, such as protective clothing, gloves and goggles, to prevent the substance from coming into direct contact with the skin and eyes and causing damage. In case of inadvertent contact, rinse with plenty of water immediately and seek medical attention in time.

In addition, storage should also be cautious. Store in a cool, dry and well-ventilated place, away from fire sources and oxidants. Due to the characteristics of its chemical structure, improper storage or disturbance of its stability can cause dangerous chemical reactions.

The use environment should not be ignored. The operation should be carried out in a fume hood to effectively discharge volatile gaseous substances, avoid their accumulation in the air, and reduce the risk of poisoning. At the same time, precise control of the dosage is also crucial. Due to the high chemical activity of the substance, excessive use or runaway reaction may not only affect the experimental or production effect, but also lead to safety accidents.

In addition, disposal must also be carried out in accordance with regulations. It should not be discarded at will, and relevant environmental regulations should be followed. Proper disposal methods should be taken to prevent pollution to the environment.

All of these are to be taken into account when using Ethyl {4- [ (4-fluorobenzyl) amino] -2-nitrophenyl} carbamate, and must not be taken lightly. Be sure to operate with caution to ensure safety and effectiveness.