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What are the main uses of 1-Bromo-4- (1,1-Difluoroethyl) Benzene?
1 - Bromo-4- (1,1 - Difluoroethyl) Benzene, Chinese name 1 - bromo-4- (1,1 - difluoroethyl) benzene, this compound has a wide range of uses and is often used as a key intermediate in the field of organic synthesis.
First, it is of great value in the creation of new fluorinated medicines. Fluorinated drugs are famous for their unique physical and chemical properties and biological activities, and are very popular in drug development. 1-Bromo-4- (1,1-difluoroethyl) benzene can introduce difluoroethyl and benzene ring structures into target molecules through specific chemical reactions, or can improve the lipid solubility, stability and bioavailability of drug molecules, and enhance the efficacy and safety of drugs. For example, the development of some antidepressant and anti-tumor drugs will use such fluorinated intermediates to build molecular frameworks to optimize drug performance.
Second, in the field of new pesticide creation, this compound is also indispensable. The development of modern pesticides tends to be efficient, low toxicity and environmentally friendly, and fluorinated pesticides meet this demand. 1-Bromo-4- (1,1-difluoroethyl) benzene can be used as an important building block for the construction of high-efficiency pesticide active ingredients, endowing pesticides with good lipophilic and biological activity, enhancing its control effect on pests and bacteria, and reducing residues and hazards in the environment.
Third, in the field of materials science, 1-bromo-4- (1,1-difluoroethyl) benzene can be used to synthesize fluorine-containing functional materials. For example, synthesizing polymer materials with special optical and electrical properties will help the development of electronic devices, optical instruments and other fields. By polymerizing with other monomers, the difluoroethyl structure is introduced into the polymer chain, which changes the surface properties, thermal stability and dielectric properties of the material to meet the requirements of different fields for the special properties of the material.
What are the physical properties of 1-Bromo-4- (1,1-Difluoroethyl) Benzene?
1-Bromo-4- (1,1-difluoroethyl) benzene is one of the organic compounds. Its physical properties are worth studying, as follows:
Looking at its appearance, under room temperature and pressure, it is often colorless to light yellow liquid, clear and has a specific visual appearance. Its color and shape are one of the important characteristics to distinguish this substance.
As for the smell, it exudes a slightly aromatic smell, but the intensity of this smell is moderate, not rich and pungent, but also enough to make people feel its unique smell.
The boiling point is about a specific temperature range. This boiling point value is determined by intermolecular forces, including van der Waals forces and other weak interactions. The bromine atom and difluoroethyl group in the molecular structure contribute to the intermolecular force, causing its boiling point to be maintained at the corresponding level, so that during the heating process, the transition from liquid to gaseous state occurs at this specific temperature.
Melting point is also one of the important physical properties. The specific value of its melting point is determined by the regularity of the arrangement and mutual attraction of the molecules. The molecular structure of the compound makes it more orderly and exists in a solid state at a certain temperature.
In terms of density, it has a relatively certain value. This density reflects the mass of the substance per unit volume. Compared with other similar compounds, it exhibits unique density properties due to its molecular composition and structure.
Solubility is also key. In organic solvents, such as common ethanol, ether, etc., it exhibits good solubility. Due to the principle of similarity dissolution, the molecular structure of the compound has similar polar or non-polar characteristics to the molecules of the organic solvent, so it can be miscible with each other. However, in water, the solubility is poor, and the polarity of the edge water is different from the molecular polarity of the compound. It is difficult for the two to form an effective interaction, resulting in limited solubility.
In addition, the volatility of 1-bromo-4- (1,1-difluoroethyl) benzene is to a certain extent at room temperature, and the thermal motion of the molecule allows some of its molecules to break free from the shackles of the liquid surface and enter the gas phase. This property also affects its behavior and application in the environment.
Is 1-Bromo-4- (1,1-Difluoroethyl) Benzene Chemically Stable?
1-Bromo-4- (1,1-Difluoroethyl) Benzene, Chinese name 1-bromo-4- (1,1-difluoroethyl) benzene. The chemical properties of this substance are really related to its molecular structure. Its benzene ring is aromatic, and the bromine atom is connected to the fluoroalkyl group, which makes its properties unique.
In terms of stability, the existence of the benzene ring conjugate system makes the molecular infrastructure quite stable. However, the bromine atom on the benzene ring has a certain activity and can leave due to reactions such as nucleophilic substitution. Due to the large electronegativity of the bromine atom, the carbon-bromine bond connected to the benzene ring is polar. Under appropriate conditions, it is vulnerable to attack by nucleophiles and cause substitution reactions.
As for the fluoroalkyl group, the fluorine atom is extremely electronegative. The introduction of 1,1-difluoroethyl adds a unique electronic effect to the molecule. The strong electron-withdrawing action of fluorine atoms may affect the electron cloud density distribution of the benzene ring, which in turn affects the substitution reaction activity and regioselectivity on the benzene ring. And the spatial effect of fluoroalkyl groups should not be underestimated, or change the molecular spatial configuration, affecting its physical and chemical properties.
In terms of overall stability, 1-bromo-4- (1,1-difluoroethyl) benzene is relatively stable at room temperature and pressure without special stimulation conditions. In case of high temperature, strong acid base or specific catalyst, its bromine atom or fluoroalkyl part may participate in the chemical reaction, and the stability will change accordingly.
From the above, the stability of 1-bromo-4- (1,1-difluoroethyl) benzene is not absolute, but is influenced by many factors. Its chemical properties are also complex and changeable due to the interaction of various parts in the structure.
What are the synthesis methods of 1-Bromo-4- (1,1-Difluoroethyl) Benzene?
The synthesis of 1-bromo-4- (1,1-difluoroethyl) benzene is an important topic in the field of organic synthesis. The following common synthetic pathways can be used for your reference.
First, acetophenone is used as the starting material. First, the carbonyl group of acetophenone is difluoromethylated. This step can be carried out by a suitable bis-fluoromethylation reagent, such as difluoromethyltrimethylsilane (CF ² H-TMS), under the catalysis of base, nucleophilic addition reaction with acetophenone to generate the corresponding bis-fluoromethylation product. Subsequently, the α-hydrogen of this product is brominated. N-bromosuccinimide (NBS) can be selected, and in the presence of an initiator such as benzoyl peroxide, the reaction is carried out in a suitable solvent, so that 1-bromo-4- (1,1-difluoroethyl) benzene can be obtained.
Second, starting from p-bromobenzaldehyde. First, p-bromobenzaldehyde is reacted with difluoromethyl Grignard reagents (such as CF -2 HMgBr). This is a nucleophilic addition process to generate the corresponding alcohol intermediate. Afterwards, this alcohol intermediate is dehydrated, and acidic conditions can be used, such as concentrated sulfuric acid or p-toluenesulfonic acid, under the catalyst of heating to promote dehydration and form double bonds. Finally, through the hydroreduction step, in the presence of a suitable catalyst such as palladium carbon, hydrogen is introduced, and the double bond is reduced to obtain the target product 1-bromo-4- (1,1-difluoroethyl) benzene.
Third, p-bromotoluene is used as the raw material. First, the methyl of p-bromotoluene is brominated under the action of light or initiator to generate p-bromobenzyl bromide. Then, p-bromobenzyl bromide and ethyl difluoroacetate undergo a nucleophilic substitution reaction under the action of alkali to form an intermediate containing difluoroacetyl. Finally, by reduction means, such as using lithium aluminum hydride (LiAlH) to reduce the ester group to alcohol, and then further eliminate the hydroxyl group to form the target product 1-bromo-4- (1,1-difluoroethyl) benzene.
The above methods have their own advantages and disadvantages. In actual synthesis, the appropriate synthesis route needs to be carefully selected according to many factors such as the availability of raw materials, the difficulty of reaction conditions, and the purity requirements of the product.
What are the precautions for storing and transporting 1-Bromo-4- (1,1-Difluoroethyl) Benzene?
1-Bromo-4- (1,1-difluoroethyl) benzene is a chemical substance. During storage and transportation, many matters must be paid attention to.
Its nature may be dangerous, and the first environment is suitable for storage. It should be placed in a cool, dry and well-ventilated place, away from fire and heat sources. Because of heat or open fire, it may cause danger, such as burning or even explosion.
Furthermore, it should be stored separately from oxidizing agents, strong alkalis and other substances, and must not be mixed. This is because it encounters with these substances, or has a violent chemical reaction, causing unexpected changes.
Packaging is also crucial. It is necessary to ensure that it is well sealed to prevent leakage. If there is a leak, it will not only damage the environment, but also pose a threat to personal safety.
During transportation, do not slack off. Transportation vehicles need to be equipped with corresponding varieties and quantities of fire equipment and leakage emergency treatment equipment. Escort personnel must be familiar with the nature of the goods being transported and emergency disposal methods. When driving, drive slowly to avoid bumps and shocks to prevent packaging damage and material leakage.
The loading and unloading process should also be handled with caution. Pack lightly and do not operate brutally to avoid damage to the packaging and cause danger. In short, the storage and transportation of 1-bromo-4- (1,1-difluoroethyl) benzene must be carried out in accordance with regulations and must not be sloppy at all, so as to ensure safety.