What is the chemical structure of N- (2-Amino-4- (4-fluorobenzylamino) phenyl) carbamic Acid Ethyl Ester Dihydrochloride

This is a chemical named "N- (2-amino-4- (4-fluorobenzylamino) phenyl) carbamate ethyl ester dihydrochloride". To understand its chemical structure, it is necessary to analyze the meaning of its naming parts.

"N- (2-amino-4- (4-fluorobenzylamino) phenyl) " indicates that this compound has a nitrogen atom attached to a specific phenyl structure. This benzene is based on an amino group at the 2 position, which is connected to a 4-fluorobenzylamino group at the 4-position. 4-fluorobenzylamino means that the 4-position of the benzyl ring is replaced by a fluorine atom, and the benzyl group is connected to the amino group.

"Ethyl carbamate", that is, the ester formed by carbamate and ethanol. This part is connected to the above nitrogen-containing phenyl group.

And "dihydrochloride" indicates that the compound binds two molecules of hydrogen chloride, usually due to the reaction of basic check points such as nitrogen atoms in the compound with hydrochloric acid to form a salt.

In summary, the chemical structure of this compound is: phenyl as the core, amino group at 2 positions, 4-fluorobenzyl amino group; this phenyl group is partially connected to carbamate, and the whole is connected to two molecules of hydrogen chloride to form a salt. This structure gives the compound specific physical and chemical properties, and may have specific uses in the fields of chemistry and biomedicine.

N- (2-Amino-4- (4-fluorobenzylamino) phenyl) carbamic Acid Ethyl Ester Dihydrochloride

N- (2-amino-4- (4-fluorobenzylamino) phenyl) carbamate ethyl ester dihydrochloride, an organic compound. It has a wide range of uses and plays a pivotal role in the field of medicinal chemistry.

First, it is often used as a key intermediate in drug development. It can be skillfully spliced with other molecular fragments through a series of chemical reactions to construct new compounds with specific biological activities. For example, in order to develop targeted drugs for specific diseases, it is necessary to construct molecules containing specific structures of pharmacophore, which may provide structural units such as amino groups and benzyl groups. After rational design and reaction, drug molecules with high affinity and selectivity for disease-related targets are generated, laying the foundation for the creation of new drugs.

Second, it plays an important role in biological activity research. Because of its unique chemical structure, it may interact with biological macromolecules such as specific receptors and enzymes in organisms. Researchers can gain a deeper understanding of physiological and pathological processes in organisms by studying its binding mode and mechanism of action with these biological macromolecules. For example, when exploring the catalytic mechanism of a certain type of enzyme, the substance is used as a tool molecule to observe its impact on enzyme activity, so as to clarify the target and regulatory mechanism of the enzyme, and provide a theoretical basis for the treatment and drug design of related diseases.

Third, in the field of organic synthetic chemistry, it is a commonly used structural modification reagent. Because its structure contains multiple reactive activity check points, it can be modified to expand the structural diversity of organic compounds. Chemists can use the reactivity of their amino groups, ester groups and other groups to introduce different substituents to prepare organic materials or compounds with novel structures and unique properties, and promote the development and innovation of organic synthetic chemistry.

What are the physical properties of N- (2-Amino-4- (4-fluorobenzylamino) phenyl) carbamic Acid Ethyl Ester Dihydrochloride

This substance is called N- (2-amino-4- (4-fluorobenzylamino) phenyl) carbamate ethyl dihydrochloride. Its physical properties are as follows:

Usually, this compound is in the solid form. Because it contains a dihydrochloride part, in the solid state, the lattice structure will be affected by the interaction of anions and cations. In terms of appearance, it may appear white to white powder, which is more common in many organic compounds containing hydrochloride.

In terms of solubility, in view of the amino group, ester group and hydrochloride group contained in its structure, the substance should have some solubility in water. The hydrochloride part can form a strong ion-dipole interaction with water molecules to promote its dissolution. In organic solvents, its solubility varies depending on the type of solvent. For example, in polar organic solvents such as methanol and ethanol, the solubility may be better due to the formation of hydrogen bonds between molecules; but in non-polar organic solvents such as n-hexane and benzene, the solubility is poor due to the large difference in molecular polarity.

Its melting point is also one of the important physical properties. There are various interaction forces between the molecules of the compound, such as hydrogen bonds, ionic bonds and van der Waals forces. These interactions together maintain the stability of the crystal structure, making the melting point relatively high. The specific melting point value fluctuates due to factors such as the purity of the compound.

In addition, the substance may have a certain degree of hygroscopicity. The amino and hydrochloride parts of the molecule easily combine with water molecules in the air to absorb water. This should be taken care of during storage and should be placed in a dry environment to prevent moisture decomposition from affecting its chemical properties and purity.

N- (2-Amino-4- (4-fluorobenzylamino) phenyl) carbamic Acid Ethyl Ester Dihydrochloride

To prepare N- (2-amino-4- (4-fluorobenzyl amino) phenyl) urethane ethyl carbamate dihydrochloride, the following ancient method can be used.

First, start with 2-nitro-4-chloroaniline. Co-place it with 4-fluorobenzyl amine in an appropriate reactor, add an appropriate amount of acid binding agent, such as potassium carbonate, and dissolve it with an organic solvent, such as N, N-dimethylformamide (DMF). Control the temperature at 50-80 ° C, and when stirring the number, the nucleophilic substitution reaction occurs between the two. The purpose of this step is to replace the chlorine atom in 2-nitro-4-chloroaniline with the amino group of 4-fluorobenzyl amine to obtain 2-nitro-4- (4-fluorobenzyl amino) aniline.

times, the above product is reduced. Using palladium carbon as a catalyst, in a hydrogen atmosphere, using ethanol as a solvent, heat to 40-60 ° C to reduce the nitro group to an amino group to obtain 2-amino-4- (4-fluorobenzyl amino) aniline. This step requires attention to the hydrogen pressure and reaction time to ensure complete reduction.

Furthermore, 2-amino-4- (4-fluorobenzylamino) aniline is reacted with ethyl chloroformate. Dissolve the two into dichloromethane, add triethylamine as an acid binding agent, stir it at 0-25 ° C, and after a few hours, get N- (2-amino-4- (4-fluorobenzylamino) phenyl) carbamate ethyl ester.

Finally, prepare its dihydrochloride salt. Dissolve N- (2-amino-4- (4-fluorobenzyl amino) phenyl) ethyl carbamate into an appropriate amount of absolute ethanol, slowly drop into the ethanol solution of hydrogen chloride, drop it, and stir it at room temperature. When the reaction is complete, the precipitation is precipitated, filtered and dried to obtain N- (2-amino-4- (4-fluorobenzyl amino) phenyl) carbamate ethyl dihydrochloride.

After each step of the reaction, appropriate analytical methods, such as thin-layer chromatography (TLC), high-performance liquid chromatography (HPLC), etc., are required to measure the purity and reaction process in order to adjust the reaction conditions in time to obtain high-purity products.

N- (2-Amino-4- (4-fluorobenzylamino) phenyl) carbamic Acid Ethyl Ester Dihydrochloride What is the price range in the market?

I don't know the price range of "N- (2 - Amino - 4- (4 - fluorobenzylamino) phenyl) carbamic Acid Ethyl Ester Dihydrochloride" in the market. This is a chemical product, and its price is determined by many factors. Such as the source of the material, the method of preparation, the level of purity, the amount of demand, and even changes in market conditions can make its price fluctuate.

If you want to know the exact price, you should consult the chemical trading platform and reagent supplier for details. Or you can go to a professional chemical trading place, such as Sinopharm Group Chemical Reagent Network, search banner reagent network, etc., to check its quotation, or you can directly contact the supplier to ask its current price. Or communicate with people in the same industry and listen to the material price market to obtain a more accurate price range.