Chemical Formula | C13H11ClFNO |
Molecular Weight | 251.69 |
Appearance | Solid (predicted) |
Boiling Point | Predicted around 397.4°C at 760 mmHg |
Density | Predicted around 1.317 g/cm³ |
Solubility | Solubility in organic solvents like ethanol, acetone; less soluble in water (predicted) |
Flash Point | Predicted around 194.1°C |
Logp | Predicted to be around 4.2 (indicating lipophilic nature) |
Pka | The amino group may have a pKa around 4 - 5 (for the conjugate acid, approximate value) |
Chemical Formula | C13H11ClFNO |
Molecular Weight | 251.69 |
Appearance | Solid (usually white to off - white powder) |
Melting Point | Typically in a certain temperature range (data may vary, e.g., 90 - 95°C) |
Boiling Point | Higher temperature, specific value depends on experimental conditions |
Solubility In Water | Low solubility in water |
Solubility In Organic Solvents | Soluble in some organic solvents like dichloromethane, ethyl acetate |
Density | A specific density value (data may vary, e.g., around 1.3 - 1.4 g/cm³) |
Flash Point | Specific flash point value (data may vary, e.g., >100°C) |
Purity | Can be of different purity levels, e.g., 95%+, 98%+ |
What are the main uses of 3-Chloro-4- (3-fluorobenzyloxy) -aniline?
3-Chloro-4- (3-fluorobenzoxy) aniline is an important intermediate in organic synthesis. It has key uses in many fields such as medicine, pesticides and material science.
In the field of medicine, this compound is often a key starting material for the synthesis of new drugs. With its unique chemical structure, pharmaceutical researchers can build molecules with specific biological activities. For example, it may be possible to develop inhibitors targeting specific disease-related targets based on this. After modification and modification, it can precisely bind to the target, thereby regulating physiological processes and achieving the purpose of treating diseases. The creation of many anti-cancer drugs and anti-infective drugs relies on the delicate design and synthesis of such intermediates.
In the field of pesticides, 3-chloro-4- (3-fluorobenzoxy) aniline also plays an important role. It can be used as a raw material for the synthesis of high-efficiency, low-toxicity and environmentally friendly pesticides. By means of chemical synthesis, the prepared pesticides are endowed with excellent insecticidal, bactericidal or herbicidal properties. Pesticides synthesized based on it may be highly selective to specific pests or pathogens. When effectively controlling agricultural pests and diseases, the adverse effects on non-target organisms and the environment are minimized, which is in line with the needs of today's green agriculture development.
In the field of materials science, this compound can participate in the preparation of functional materials. After appropriate reaction, it is introduced into the structure of polymer materials, which may endow the materials with unique electrical, optical or thermal properties. For example, the preparation of organic materials with special photoelectric conversion properties will contribute to the development of photoelectric devices such as solar cells and Light Emitting Diodes.
3-chloro-4- (3-fluorobenzoxy) aniline is a small molecule in organic synthesis, but its role in many important fields cannot be ignored, providing an indispensable foundation for promoting the progress of medicine, pesticides and materials science.
What are the synthesis methods of 3-Chloro-4- (3-fluorobenzyloxy) -aniline?
The synthesis method of 3-chloro-4- (3-fluorobenzyloxy) aniline is now your way.
One method is to take 3-chloro-4-hydroxyaniline as the starting material. In this compound, react with 3-fluorobenzyl halide, such as 3-fluorobenzyl chloride or 3-fluorobenzyl bromide, in an alkaline medium. Usually with the help of potassium carbonate, sodium carbonate and other bases, in suitable organic solvents, such as N, N-dimethylformamide (DMF), acetonitrile, etc., heat and stir it. This reaction is a nucleophilic substitution reaction. The oxygen atom of the hydroxyl group is nucleophilic and can attack the carbon connected to the halogen atom in the 3-fluorobenzyl halide. The halogen ion leaves, and then forms 3-chloro-4- (3-fluorobenzoxy) aniline.
There is another way. 3-chloroaniline can be protected first to prevent the amino group from interfering in subsequent reactions. Protect the amino group with an appropriate protective group, such as tert-butoxycarbonyl (Boc), to obtain the protected 3-chloroaniline derivative. Afterwards, the derivative is reacted with 3-fluorobenzyl halide in basic conditions and organic solvents similar to the above, and 3-fluorobenzyl oxide is introduced. After the benzyl oxide is introduced, the protective group is removed and the amino group is restored through an appropriate reaction. Finally, 3-chloro-4- (3-fluorobenzyl) aniline is obtained.
There is another way. It can start from 4- (3-fluorobenzyl) -1-nitrobenzene. First, 3-fluorobenzyl halide is reacted with p-nitrophenol under alkaline conditions to obtain 4- (3-fluorobenzyl) -1-nitrobenzene. Then the nitro compound is reduced to an amino group by a suitable reducing agent, such as iron-hydrochloric acid, tin-hydrochloric acid, or by catalytic hydrogenation, and the target product 3-chloro-4- (3-fluorobenzyl) aniline can also be obtained. All methods have their own advantages and disadvantages. When experimenting, it should be selected carefully according to the actual situation, such as the availability of raw materials, the difficulty of reaction conditions, and the high or low yield.
What are the physical properties of 3-Chloro-4- (3-fluorobenzyloxy) -aniline?
3-Chloro-4- (3-fluorobenzoxy) aniline is a kind of organic compound. According to its physical properties, it is mostly in a solid state under normal conditions, and its structure is relatively stable due to intermolecular forces. Its melting point is the critical temperature at which the substance changes from solid to liquid state. The exact value can be obtained by experimental determination. This value is of great significance for the identification and purification of the compound.
Furthermore, its solubility is also a key property. In organic solvents, such as common ethanol and ether, the compound may have a certain solubility by virtue of the principle of similar miscibility. Due to the similarity between the molecular structure of organic solvents and 3-chloro-4- (3-fluorobenzoxy) aniline, they can form a weak interaction force with each other and then dissolve. However, in water, because the molecular polarity does not exactly match the water molecule, the solubility is relatively low.
The color of this compound may be white to off-white, and this color characteristic is also helpful for preliminary identification. Although its odor, or a special organic odor, is difficult to describe accurately, experienced chemical practitioners can use it to assist in identification.
In addition, its density is related to the mass per unit volume, and accurate measurement can be done with the help of specific instruments. This value is an indispensable parameter for the material ratio and reaction system design in chemical production.
The physical properties of 3-chloro-4- (3-fluorobenzoxy) aniline are diverse and have important value in many fields of chemical research and chemical production. Only by carefully exploring and mastering these properties can we better control its application.
What are the chemical properties of 3-Chloro-4- (3-fluorobenzyloxy) -aniline
3-Chloro-4- (3-fluorobenzoxy) aniline, the chemical properties of this substance are very important, and it is related to many chemical and chemical things.
Its physical properties, at room temperature or in a solid state, have specific melting points and boiling points. These parameters are key guidelines in separation, purification and practical applications. The level of melting point can help to determine its purity. If the purity is high, the melting point range is often narrow.
From the perspective of chemical activity, amino groups (-NH2O) give it alkaline properties, which can react with acids to form corresponding salts. This property can be used in organic synthesis to form new chemical bonds and prepare various derivatives. Chlorine atoms (-Cl) are also active groups and can participate in nucleophilic substitution reactions. Due to their electronegativity, the electron cloud density of the benzene ring can be changed, which affects the activity and check point selectivity of other reactions on the benzene ring. Under suitable conditions, chlorine atoms can be replaced by many nucleophiles to expand the structural diversity of molecules.
3 -fluorobenzoxy moiety, the presence of fluorine atoms increases the stability and fat solubility of molecules. Benzoxy groups can be broken under specific conditions, providing the possibility for further modification of molecules. For example, in some reaction systems, benzoxy groups can be used as protective groups. After the reaction is completed, they can be selectively removed to accurately construct the target product.
Due to these chemical properties, this compound has potential application value in the fields of medicine, pesticides and materials science. In pharmaceutical research and development, it may be used as a lead compound to develop new drugs through structural modification and optimization; in the field of pesticides, its unique structure may endow good biological activity to prepare high-efficiency and low-toxicity pesticide products.
What is the price range of 3-Chloro-4- (3-fluorobenzyloxy) -aniline in the market?
I don't know what the price range of 3 - Chloro - 4 - (3 - fluorobenzyloxy) - aniline is on the market. This is a fine chemical, and its price is determined by many factors.
First, the difficulty of preparation has a great impact. If its synthesis requires complicated steps, special raw materials or harsh reaction conditions, the cost will be high, and the price will also rise. For example, the need for rare catalysts or multiple purification steps will increase the cost.
Second, the state of market supply and demand is the key. If many industries, such as pharmaceuticals, pesticides, etc., have high demand for them, but the supply is limited, the price will rise; on the contrary, if there is little demand, the supply will exceed the demand, and the price will decline.
Third, the price of raw materials also plays a role. If the price of raw materials for synthesizing this compound fluctuates, the price will also change accordingly. For example, the price of raw materials fluctuates due to factors such as origin and season, and the price of products is difficult to stabilize.
Fourth, the scale of production is also related to the price. In large-scale production, due to the scale effect, the unit cost may be reduced and the price may be more affordable; in small-scale production, the cost is higher and the price will be higher.
Because I do not know the specific market information at the moment, it is difficult to determine its price range. For exact prices, consult chemical product suppliers, trading platforms, or refer to recent market surveys so that accurate price ranges can be obtained.