Chemical Formula | C13H11ClFNO |
Molecular Weight | 253.69 |
Appearance | Solid (predicted) |
Melting Point | N/A (no data found) |
Boiling Point | N/A (no data found) |
Density | N/A (no data found) |
Solubility | Soluble in organic solvents like DMSO (predicted) |
Logp | Calculated logP value around 4 - 5 (hydrophobic, predicted) |
Pka | N/A (no data found) |
Stability | Stable under normal conditions, avoid strong oxidizing agents (predicted) |
Chemical Formula | C14H13ClFNO |
Molecular Weight | 265.71 |
Appearance | Solid (Typical) |
Melting Point | Data may vary |
Boiling Point | Data may vary |
Solubility | Solubility characteristics would depend on solvents |
Density | Data may vary |
Flash Point | Data may vary |
Vapor Pressure | Data may vary |
Pka | Data may vary |
What are the chemical properties of 3-Chloro-4- (3-fluoro-benzyloxy) phenylamine?
3-Chloro-4- (3-fluorobenzoxy) aniline, this is an organic compound. Its chemical properties are unique and of great research value.
Looking at its structure, it contains groups such as chlorine atoms, fluorobenzoxy groups and amino groups. Chlorine atoms have certain electronegativity, which can affect molecular polarity and reactivity. Because their electronegativity is greater than that of carbon, the electron cloud will tilt towards itself, making the connected carbon atoms partially positively charged, which is easy to initiate nucleophilic substitution reactions. Under appropriate conditions, chlorine atoms can be replaced by other nucleophilic reagents to form new carbon-hetero atomic bonds.
In 3-fluorobenzoxy groups, fluorine atoms have extremely strong electronegativity, which has a significant impact on the distribution of part of the electron cloud of benzoxy groups Its electron-withdrawing effect makes the benzoxy group more stable, and also affects the electron cloud density of the benzene ring connected to it. This not only changes the activity and selectivity of the electrophilic substitution reaction of the benzene ring, but also plays a role in the overall physical and chemical properties of the molecule, such as boiling point, melting point, etc. The
amino group is a strong electron-giving group, which can significantly increase the electron cloud density of the benzene ring, making the benzene ring more prone to electrophilic substitution reaction. There are lone pairs of electrons on the amino nitrogen atom, which can participate in a variety of chemical reactions, such as reacting with acids to form salts, reacting with acyl halides, acid anhydrides, etc. to form amides. And under certain conditions, amino groups can also undergo diazotization reactions, etc., providing rich pathways for organic synthesis Due to the interaction of these groups, 3-chloro-4- (3-fluorobenzyloxy) aniline exhibits diverse chemical properties and can be used as a key intermediate in the field of organic synthesis for the preparation of various bioactive or special functional organic compounds. It may have potential applications in the pharmaceutical, pesticide and other industries.
What are the main uses of 3-Chloro-4- (3-fluoro-benzyloxy) phenylamine
3-Chloro-4- (3-fluorobenzoxy) aniline, an organic compound, is widely used in the chemical and pharmaceutical fields.
In the chemical field, it is often used as an intermediate in organic synthesis. Organic synthesis is like a delicate chemical "weaving". Many basic raw materials are "woven" into complex organic compounds through a series of chemical reactions. 3-chloro-4- (3-fluorobenzoxy) aniline is like a key "thread" in many organic synthesis reactions due to its unique chemical structure, leading the reaction in a specific direction and generating target products. For example, when synthesizing aromatic compounds with specific structures, they can participate in nucleophilic substitution, condensation and other reactions by virtue of their own chlorine atoms and active groups such as benzyloxy groups, laying the foundation for the construction of complex organic molecular structures.
In the field of medicine, this compound is of great significance. Drug development is like a journey to explore mysterious treasures. Scientists need to find those with specific pharmacological activities from thousands of compounds. 3-chloro-4- (3-fluorobenzyloxy) aniline or because of its structure and specific target in vivo, exhibits potential pharmacological activity. Or it can be used as a lead compound, and researchers can optimize its structure modification, just like carving jade, to improve the efficacy of drugs and reduce toxic and side effects, so as to develop new drugs for the treatment of specific diseases. For example, in the research and development of anti-tumor drugs, after modification, it may be able to precisely act on specific targets of tumor cells and inhibit the growth and proliferation of tumor cells.
Furthermore, in the fields of materials science, it may also have potential applications. With the advancement of science and technology, the demand for new materials is increasing day by day. This compound may give new properties to material properties due to its special physical and chemical properties, such as participating in the preparation of materials with special optical and electrical properties, contributing to the development of materials science.
What is the synthesis method of 3-Chloro-4- (3-fluoro-benzyloxy) phenylamine?
To prepare 3-chloro-4- (3-fluorobenzoxy) aniline, the synthesis method is obtained by multi-step reaction.
The first step is to use 3-chloro-4-hydroxyaniline as the starting material, and the hydroxyl group in this compound is reactive. Take it and react with 3-fluorobenzyl halides, such as 3-fluorobenzyl chloride or 3-fluorobenzyl bromide, in an alkaline environment. Potassium carbonate, sodium carbonate, etc. are commonly used in basic reagents, and they are heated and stirred in suitable solvents, such as N, N-dimethylformamide (DMF), acetonitrile, etc. The base can capture the hydrogen of the hydroxyl group of 3-chloro-4-hydroxyaniline to form a phenoxy negative ion. This negative ion has strong nucleophilicity and attacks the benzyl carbon of 3-fluorobenzyl halide. The halogen ion leaves, thereby generating a 3-chloro-4- (3-fluorobenzoxy) aniline precursor. This step is a nucleophilic substitution reaction.
However, the resulting product or impurities need to be separated and purified. The column chromatography method can be used to use silica gel as the stationary phase, and the suitable mixed solvent is the mobile phase. For example, petroleum ether and ethyl acetate are mixed in a certain proportion. According to the difference in the partition coefficients of different compounds in the stationary phase and the mobile phase, separation is achieved to obtain a pure 3-chloro-4- (3-fluorobenzyl halophenoxy) aniline intermediate.
Last step, if the halogen atom in the intermediate is not an amino group, it needs to be converted. If the intermediate is 3-chloro-4- (3-fluorobenzoxy) halobenzene, the nucleophilic substitution reaction can be used to replace the halogen atom with an ammonia or amine reagent under suitable conditions. For example, in an autoclave, liquid ammonia is used as the ammonia source, and an appropriate amount of catalyst, such as copper salts, is added to heat the reaction, the halogen atoms leave, and the ammonia molecules attack the benzene ring carbon to form the target product 3-chloro-4- (3-fluorobenzoxy) aniline. The final product also needs to be purified, which can be recrystallized, and a suitable solvent, such as ethanol and water, is selected. After dissolving, cooling and crystallizing, filtering and drying, high-purity 3-chloro-4- (3-fluorobenzoxy) aniline is obtained.
What is the market outlook for 3-Chloro-4- (3-fluoro-benzyloxy) phenylamine?
3-Chloro-4- (3-fluorobenzoxy) aniline is widely used in the field of pharmaceutical and chemical industry. Looking at the current market, its prospects are quite promising.
From the perspective of pharmaceutical research and development, such compounds are often key intermediates for the creation of new drugs. Today, the global pharmaceutical industry is booming, and there is a growing demand for novel and highly effective drugs. Many pharmaceutical companies and scientific research institutions are dedicated to the development of innovative drugs. Due to the unique chemical structure of 3-chloro-4 - (3-fluorobenzoxy) aniline, which can impart specific biological activities and pharmacological properties to drug molecules, it is often regarded as an important starting material or structural module in the development of anti-cancer, anti-infection and other drugs. With the deepening of research, it is expected to generate more innovative drugs based on this compound, and its market demand will also increase.
In the field of chemical materials, it is also promising. With the progress of materials science, the demand for chemical raw materials with special properties is increasing. 3-Chloro-4- (3-fluorobenzoxy) aniline can be chemically modified and converted to prepare functional materials with unique optical, electrical or mechanical properties, such as for electronic devices, polymer material modification and other fields. This expands its application space in the chemical market, causing more chemical companies to pay attention to it and invest resources in related research and production.
However, among the market opportunities, there are also challenges. The process of synthesizing this compound needs to be perfected to improve yield and reduce costs. And environmental regulations are becoming more and more stringent, and waste disposal and environmental impact in the production process must be properly addressed. Only by overcoming such problems can 3-chloro-4- (3-fluorobenzyloxy) aniline move forward steadily in the market, fully release its potential, bloom in the pharmaceutical and chemical fields, and inject strong impetus into the development of the industry.
What are the precautions for using 3-Chloro-4- (3-fluoro-benzyloxy) phenylamine?
3-Chloro-4- (3-fluorobenzoxy) aniline, this is an organic compound. During use, many things must be paid attention to.
First, safety protection is essential. This compound may be toxic and irritating. When exposed, be sure to wear suitable protective equipment, such as gloves, goggles and protective clothing, to prevent it from coming into contact with the skin, eyes and respiratory tract. If you come into contact, rinse with plenty of water immediately and seek medical attention according to the specific situation.
Second, the operating environment should not be ignored. It needs to be operated in a well-ventilated place, preferably in a fume hood, to avoid the accumulation of gaseous substances volatile by the compound in the air and endanger human health. And the operating site should be kept away from fire and heat sources, because it may be flammable, to avoid serious accidents such as fire or explosion.
Third, storage requirements are also paid attention to. It should be stored in a cool, dry and ventilated place, away from oxidants and other incompatible substances to prevent chemical reactions. At the same time, ensure that the storage container is well sealed to prevent leakage.
Fourth, the specifications for use must be followed. Precise weighing and use in strict accordance with experimental procedures or production requirements, and the dosage and operation procedures must not be changed at will. After use, the remaining compounds and related wastes should be properly disposed of according to regulations and should not be discarded at will to prevent environmental pollution.
In conclusion, when using 3-chloro-4- (3-fluorobenzoxy) aniline, care must be taken in all aspects of safety, environment, storage and use practices to ensure safe operation and avoid adverse effects on people and the environment.