4 3 Fluorobenzyloxy 3 Chlorobenzenamine
Fluorine Difluoride Fluorobenzene Fluorobenzyl Trifluorotoluene
4-(3-fluorobenzyloxy)-3-chlorobenzenamine
Chemical Formula C13H11ClFNO
Molecular Weight 251.689 g/mol
Appearance Solid (predicted)
Boiling Point 370.4±37.0 °C at 760 mmHg (predicted)
Melting Point N/A
Density 1.315±0.06 g/cm3 at 20 °C (predicted)
Logp 3.96 (predicted)
Pka 4.79±0.10 (predicted)
Solubility Soluble in organic solvents like DMSO, methanol
Flash Point 177.8±26.5 °C (predicted)
Vapor Pressure 0.0±0.9 mmHg at 25 °C (predicted)
Chemical Formula C13H11ClFNO
Molecular Weight 251.688 g/mol
Appearance Solid (predicted)
Boiling Point 369.3±37.0 °C at 760 mmHg (predicted)
Melting Point N/A
Density 1.305±0.06 g/cm3 (predicted)
Flash Point 177.2±26.5 °C (predicted)
Logp 4.25 (predicted)
Solubility Soluble in organic solvents like dichloromethane, chloroform (predicted)
Pka N/A
Vapor Pressure 0.0±0.9 mmHg at 25 °C (predicted)
FAQ

What is the main use of 4- (3-fluorobenzyloxy) -3-chlorobenzenamine?

4- (3-fluorobenzoxy) -3-chlorobenzamine, an organic compound, has important uses in many fields.

In the field of medicinal chemistry, it may be a key pharmaceutical intermediate. Among organic compounds, the structure and activity are closely related. The unique structure of this compound, including fluorobenzoxy and chlorine atoms, endows it with specific physicochemical properties and reactivity. Through appropriate chemical reactions, its structure can be modified and modified, and then drug molecules with specific pharmacological activities can be synthesized. For example, by reacting with other compounds containing active groups, drugs that can interact with specific targets in the body can be constructed to treat various diseases such as cancer and neurological diseases.

In the field of materials science, it is also useful. Due to the functional groups in its structure, it can participate in the synthesis and modification process of materials. For example, in the preparation of certain functional polymer materials, this compound can be introduced as a monomer or additive, thereby changing the electrical, optical or mechanical properties of the material, making the material more suitable for specific application scenarios such as electronic devices and optical materials.

In addition, in the study of organic synthesis chemistry, 4- (3-fluorobenzyloxy) -3-chlorobenzamine is often used as a starting material or intermediate for the synthesis of more complex organic compounds. Chemists can use its activity check point to construct diverse molecular structures through various organic reactions, such as nucleophilic substitution reactions, coupling reactions, etc., to expand the variety and application range of organic compounds. Therefore, 4- (3-fluorobenzoxy) -3-chlorobenzamine plays an indispensable role in the fields of medicine, materials and organic synthesis, and has made great contributions to promoting scientific research and technological development in related fields.

What are the synthesis methods of 4- (3-fluorobenzyloxy) -3-chlorobenzenamine

To prepare 4 - (3 - fluorobenzyl) - 3 - chlorobenzamide, it can be obtained by multiple methods.

First, start with 3 - chloro - 4 - hydroxybenzaldehyde, and first react with 3 - fluorobenzyl halide in an alkaline environment to obtain 4- (3 - fluorobenzyl) - 3 - chlorobenzaldehyde. For example, 3 - chloro - 4 - hydroxybenzaldehyde and potassium carbonate are placed in a suitable organic solvent, such as N, N - dimethylformamide (DMF), 3 - fluorobenzyl bromide is added dropwise, and when the reaction number is heated and stirred, the reaction is completed, and the pure product is obtained by extraction and column chromatography. Then the aldehyde is reduced to the corresponding alcohol in a suitable solvent (methanol for sodium borohydride or anhydrous tetrahydrofuran for lithium aluminum hydride) as a reducing agent, such as sodium borohydride or lithium aluminum hydride), and then chlorinated with thionyl chloride or phosphorus oxychloride to obtain 4- (3-fluorobenzyl) -3-chlorobenzyl chloride. Finally, it can be reacted with ammonia or amination reagents to obtain the target product.

Second, starting with 3-chloroaniline, it is first reacted by diazotization, then reacted with 3-fluorobenzyl alcohol or its derivatives to introduce benzoxy group, and then the nitro group is reduced to amino group. For example, 3-chloroaniline is reacted with sodium nitrite at low temperature in hydrochloric acid solution to obtain diazonium salt, and then reacted with 3-fluorobenzyl alcohol and copper salt catalyst to obtain 4- (3-fluorobenzyl) -3-chlorobenzene compound. If the compound contains nitro groups, the nitro group is reduced to amino group by iron powder, hydrochloric acid or palladium carbon hydrogenation to obtain 4- (3-fluorobenzyl) -3-chlorobenzamine.

Third, 3-fluorobenzyl group is introduced through palladium-catalyzed coupling reaction with suitable halobenzene derivatives as raw materials, and then converted into the target product through other reactions. For example, by reacting 3-chloro-4-haloaniline with 3-fluorobenzylboronic acid, in the presence of palladium catalysts (such as tetra (triphenylphosphine) palladium) and bases (such as potassium carbonate), in organic solvents (such as toluene and water mixed solvent), 4 - (3-fluorobenzoxy) - 3-chloroaniline can be obtained through multi-step reactions depending on the reaction conditions and reagents. 4 - (3-fluorobenzoxy) - 3 - chlorobenzolamine.

All synthesis methods have advantages and disadvantages. It is necessary to weigh the factors such as raw material availability, reaction conditions, and cost. The most suitable method is selected for the synthesis of 4- (3-fluorobenzoxy) -3-chlorobenzamine.

What are the physical properties of 4- (3-fluorobenzyloxy) -3-chlorobenzenamine

4- (3 -fluorobenzoxy) -3 -chlorobenzamine, this substance is an organic compound. Looking at its physical properties, under normal conditions, it is either a solid state or a liquid state, depending on the characteristics of its intermolecular force and structure. If the intermolecular force is strong and arranged in an orderly manner, it is mostly a solid state; if the intermolecular force is weak and the molecular movement is free, it is easy to be a liquid state.

On the melting point, the existence of fluorine, chlorine atoms and benzyloxy groups affects the accumulation of molecules, so that the melting point has a specific value. The electronegativity of fluorine atoms is large, and the chlorine atoms have a certain steric resistance. The benzyloxy structure also participates in the action, which makes its melting point different from that of common benzamines. The same is true for the boiling point of

. In addition to van der Waals forces, the characteristics of fluorine and chlorine atoms, or the weak hydrogen bonding between molecules, affect the energy required for molecules to leave the liquid phase, making the boiling point unique.

As for solubility, because of its amino group, it has a certain polarity, and it may have a certain solubility in polar solvents such as alcohols. However, the non-polar part of the molecule such as benzyloxy groups limits its solubility in polar solvents. In non-polar solvents such as alkanes, the non-polar part can interact with the solvent or have a certain solubility, but the polar amino group limits its solubility.

Its density is also affected by the molecular structure and atomic mass. The relative mass and atomic radius of the fluorine and chlorine atoms, as well as the structure of the benzyloxy group, jointly determine the degree of molecular compactness and thus the density value.

The physical properties of this compound are due to its unique molecular structure, and each atom interacts with the group to shape its characteristics.

What are the chemical properties of 4- (3-fluorobenzyloxy) -3-chlorobenzenamine

4 - (3 -fluorobenzoxy) -3 -chlorobenzamine, this is an organic compound. Its chemical properties are unique, because it contains specific functional groups in the molecular structure.

Looking at its structure, above the benzene ring, the chlorine atom and the fluorobenzoxy-containing substituent are on one side. Fluorine atoms are highly electronegative, and when introduced into the molecule, they will have a significant impact on the distribution of electron clouds, thereby changing the electron density and reactivity of the benzene ring. In the 3-fluorobenzoxy group, the benzyl moiety can enhance the lipid solubility of the molecule, and the fluorine atom can fine-tune its physicochemical properties.

In terms of reactivity, the amino group (-NH2O) is a nucleophilic functional group, which is easy to react with electrophilic For example, under appropriate conditions, acylation reactions can occur with acyl chloride, acid anhydride, etc., to generate corresponding amide derivatives. During this reaction, the nitrogen atom of the amino group attacks the carbonyl carbon of the electrophilic reagent with its lone pair electron, thus forming a new chemical bond.

Furthermore, the positioning effect of the electrophilic substitution reaction of the benzene ring is also changed due to the substitution of chlorine atoms with fluorobenzoxy groups. Chlorine atoms are adjacent and para-site sites. Although they have electron-absorbing induction effects, there is a conjugation effect of the electron conductor at the same time, which generally reduces the electron cloud density of the benzene ring. However, the adjacent and para-sites are relatively high, and the electrophilic reagents are easy to attack these two positions. In the fluorobenzoxy group, the power supply of benzyl group and the absorption of fluorine atoms work together to affect the check point and activity of electrophilic substitution reaction.

In addition, the interactions between atoms in the molecule, such as van der Waals force, hydrogen bond, etc., also have important effects on their physical properties, such as melting point, boiling point, solubility, etc. Its fat solubility is enhanced by the presence of benzyl group, and it may have good solubility in organic solvents. However, the specific physical and chemical properties need to be accurately determined in combination with experiments.

What is the price range of 4- (3-fluorobenzyloxy) -3-chlorobenzenamine in the market?

I have not seen the exact price range of 4- (3-fluorobenzoxy) -3-chlorobenzamine on the market. The price of this compound may vary widely due to changes in purity, source, purchase quantity and market supply and demand.

If purchased in the chemical raw material market, if the quantity is small and only used for experimental investigation, the price of high-purity products may reach tens to hundreds of yuan per gram. Because of its preparation or fine process, the cost of raw materials and synthesis is high, so the price is high.

If purchased in large quantities, such as for industrial production, the price per kilogram may be reduced due to scale effect, or it may vary according to market supply and demand and manufacturer pricing.

And different suppliers have different pricing strategies. The products of well-known large factories have strict quality control or slightly higher prices; while some small factories may have slightly lower prices due to cost control, but the quality may vary.

To know the exact price range, you can go to the chemical trading platform for details, or consult chemical raw material suppliers, who can quote accurate prices according to the current market conditions.