What is the chemical structure of ethyl {2 - amino - 4 - [ (4 - fluorobenzyl) amino] phenyl} carbamate dihydrochloride

This is the chemical structure analysis of ethyl {2-amino-4- [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride.

From its name, this compound is composed of several parts. The "ethyl" is an alkyl group containing two carbon atoms, expressed as -C ² H, which may be substituted in compounds and has specific spatial resistance and electronic effects.

The "carbamate" structure is formed by connecting an amino group (-NH2O), a carbonyl group (-C = O) and an alkoxy group (here, an ethoxy group -OC 2O H). The general formula is R NHCO -2 R ². In this compound, R is a phenyl group containing a specific substituent, and R ² is ethyl.

"2-Amino-4- [ (4-fluorobenzyl) amino] phenyl" part, indicating that the second position of the phenyl group has an amino substitution, and the fourth position has a (4-fluorobenzyl) amino substitution structure. " 4-Fluorobenzyl ", that is, the 4-position of benzyl (benzyl-CH -2-connected to the benzene ring) has a fluorine atom substitution, and the benzyl amino group (-NHCH -2-benzene ring) is connected to the phenyl group.

Finally" dihydrochloride salt ", indicating that this compound forms a salt with two molecules of hydrogen chloride. The amino group in the guain compound is alkaline and can form a salt with an acid. After forming a salt, it may affect its physical and chemical properties, such as solubility.

In summary, the chemical structure of this compound is complex, and the structure of each part interacts, giving it unique chemical and physical properties. It may have specific uses and research values in the field of medicinal chemistry or organic synthesis.

Ethyl {2 - amino - 4 - [ (4 - fluorobenzyl) amino] phenyl} carbamate dihydrochloride

Ethyl {2-amino-4- [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride, an organic compound, is often found in the field of pharmaceutical research and development.

In the field of pharmaceutical chemistry, it is mostly used as a lead compound. Due to the unique structure of this compound, containing specific functional groups and chemical structures, researchers can modify and modify it to explore the structure-activity relationship, hoping to find new drugs with better pharmacological activity and pharmacokinetic properties.

In the study of drug activity, ethyl {2-amino-4- [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride may exhibit affinity and effect on specific biological targets. For example, it targets certain disease-related proteins, enzymes or receptors, or can bind to them to regulate their biological activities, and then achieve the purpose of treating diseases.

In addition, in the early stage of drug development, it also provides important clues and research basis for researchers. By in-depth analysis of its activity performance in vivo and outside, metabolic pathways, etc., it can pave the way for subsequent drug optimization and preclinical research, and help develop safe and effective innovative drugs, contributing to human health and well-being.

What is the safety of ethyl {2 - amino - 4 - [ (4 - fluorobenzyl) amino] phenyl} carbamate dihydrochloride

Ethyl {2-amino-4- [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride, this is an organic compound. Its safety is quite complex and needs to be reviewed in many ways.

From the perspective of chemical structure, the compound contains amino groups, benzyl groups, fluorine atoms and carbamate groups. The presence of amino groups and benzyl groups may make the compound nucleophilic and chemically reactive. The fluorine atom has a large electronegativity, which may affect the polarity, stability and biological activity of the molecule, or cause special reactions during metabolism, which affects its safety. Some carbamate compounds are neurotoxic. Although the structure of this compound is different, its carbamate structural unit still needs to be concerned about its potential neurotoxic effects.

In terms of toxicological data theory, it is difficult to accurately evaluate if there is a lack of specific experimental data. Generally speaking, new compounds need to undergo a series of toxicological tests, such as acute toxicity tests, to determine the degree of acute damage to organisms caused by large exposure in a short period of time; subacute and chronic toxicity tests, to explore the potential health risks under long-term exposure; genotoxicity tests, to determine whether it has damage to genetic material; reproductive toxicity tests, to observe the impact on the reproductive system and future generations.

For environmental safety, if this compound is released into the environment, its degradability and bioaccumulation are key. Due to the complex organic structure, it degrades or is slow in the environment. If it is bioaccumulative, it is transmitted through the food chain, or has adverse effects on upper organisms in the ecosystem.

In addition, the physical and chemical properties of the compound, such as solubility and volatility, are also related to safety. If it has high solubility, it is easy to spread in the environmental water body; if it is highly volatile, it is easy to enter the atmosphere and increase the risk of exposure.

In summary, the safety of ethyl {2-amino-4- [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride is difficult to determine without detailed experimental data and research. Systemic Toxicology and Environmental Impact Assessment are required to clarify its potential harm to organisms and the environment.

What is the production method of ethyl {2 - amino - 4 - [ (4 - fluorobenzyl) amino] phenyl} carbamate dihydrochloride

The method of preparing ethyl (2-amino-4-) [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride is an important task in organic synthesis. This synthesis process often follows a multi-step reaction.

At the beginning, suitable starting materials, such as aniline derivatives containing specific substituents, can be selected. Under specific reaction conditions, it can undergo nucleophilic substitution with fluorobenzyl halides. In this reaction, the reaction solvent, such as N, N-dimethylformamide (DMF), needs to be carefully selected, because it affects the reaction rate and product purity. And the reaction temperature must also be precisely regulated. Generally, under moderate warm conditions, the reaction can proceed smoothly, so that the amino group can be smoothly combined with the halogen atom in the fluorobenzyl halide to form an intermediate containing fluorobenzyl amino groups.

Then, this intermediate reacts with ethyl chloroformate in the presence of a base. The choice of base is quite critical, such as potassium carbonate, which can effectively promote the reaction. This step of the reaction aims to introduce a urethane group, react at a suitable temperature and then lengthen, so that the amino group of the intermediate and the ethyl chloroformate undergo nucleophilic substitution to form ethyl {2-amino-4- [ (4-fluorobenzyl) amino] phenyl} carbamate.

Finally, the resulting carbamate product is interacted with hydrogen chloride gas or hydrochloric acid solution to obtain ethyl {2-amino-4- [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride through a salt-forming reaction. During this process, attention should be paid to the amount of hydrogen chloride and the reaction conditions to ensure the purity and crystalline morphology of the product. After each step of the reaction, purification methods such as column chromatography and recrystallization are required to remove impurities and obtain a pure target product.

Ethyl {2 - amino - 4 - [ (4 - fluorobenzyl) amino] phenyl} carbamate dihydrochloride

Ethyl {2-amino-4 - [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride, an organic compound. Looking at its market prospects, there are many considerations.

Let's talk about the field of medicine first. In recent years, the development of innovative drugs has flourished, and there is a growing demand for compounds with unique structures and activities. The structure of this compound contains special amino groups and benzyl groups, or has specific pharmacological activities. In the development of anti-tumor drugs, it may target specific proteins or signaling pathways to inhibit the growth of tumor cells. According to past drug development trends, small molecule compounds with novel structures and potential activities are often popular in research and development. Such as the research and development of Gleevec in the past years, its key structure has inspired the exploration of many anti-cancer drugs. If this compound is confirmed to have significant activity after in-depth pharmacological research, pharmaceutical companies may compete to carry out clinical trials. Once successful, the market prospect is broad.

Look at the field of chemical materials again. With the development of materials science, there is an increasing demand for special functional additives. This compound may be used as a polymer material modifier to endow materials with properties such as enhanced stability and improved optical properties. For example, in the past, some compounds containing special groups have been successfully used to improve the anti-aging and transparency of plastics. If this compound can show unique material modification effects after testing, chemical companies will generate demand for it, and it will be applied in plastics, fibers and other industries to open up market space.

However, its marketing activities also have challenges. The synthesis process may be complex, resulting in high production costs and affecting large-scale applications. And strict safety and environmental assessments are required to meet legal requirements. Overall, Ethyl {2-amino-4- [ (4-fluorobenzyl) amino] phenyl} carbamate dihydrochloride has considerable market prospects in the fields of medicine and chemical materials if it can overcome difficulties and fully exploit its characteristics.