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What is the main use of 4-bromo-2- (4-chlorophenyl) -1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile?
4 - bromo - 2 - (4 - chlorophenyl) - 1 - ethoxymethyl - 5 - trifluoromethyl - 1H - pyrrole - 3 - carbonitrile, this is an organic compound. Its structure is widely used in the field of organic synthesis.
In organic synthesis, it can be used as a key intermediate. Its halogen atoms such as bromine and chlorine have high reactivity. Bromine atoms can participate in nucleophilic substitution reactions and can react with many nucleophilic reagents, such as alkoxides and amines, to achieve functional group conversion, laying the foundation for the construction of more complex organic molecular structures. Chlorine atoms also have similar properties. Under appropriate conditions, they can be substituted with nucleophiles to expand the structural diversity of molecules.
Trifluoromethyl in molecules can significantly affect the physical and chemical properties of molecules due to its strong electron absorption. It can change the polarity, stability and biological activity of molecules. In the field of medicinal chemistry, the introduction of trifluoromethyl can often optimize the pharmacological activity of drug molecules, such as improving the lipid solubility of drugs, making them easier to penetrate biofilms and enhancing drug efficacy.
Furthermore, cyanyl (-CN) is also an active functional group. It can be converted into carboxyl groups by hydrolysis and used in the synthesis of compounds containing carboxyl groups, which is very important in organic synthesis and drug preparation. It can also participate in cyclization reactions and other complex cyclic structures.
In addition, the 1-ethoxymethyl part introduces specific substituents into the molecule, which affects the spatial structure and electron cloud distribution of the molecule, and then affects its reactivity and properties.
With its diverse functional groups, this compound may have important uses in many fields such as organic synthesis, medicinal chemistry, and materials science, providing the possibility for the preparation of new organic compounds and functional materials.
What are the synthesis methods of 4-bromo-2- (4-chlorophenyl) -1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile
The following methods are commonly used for the synthesis of 4-bromo-2- (4-chlorophenyl) - 1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-formonitrile.
First, a compound containing a halogenated aryl group is used as the starting material. First, a suitable halogenated benzene, such as 4-chlorobromobenzene, is introduced into a group containing an ethoxy methyl group through a specific nucleophilic substitution reaction to form a halogenated aromatic hydrocarbon intermediate with an ethoxy methyl group. This process requires precise control of reaction conditions, such as temperature, reaction duration and reactant ratio. Then, through the cyclization reaction, the intramolecular ring is formed to form a pyrrole ring. In this step, appropriate catalysts and reaction solvents need to be selected to facilitate the efficient generation of pyrrole rings. Finally, the pyrrole ring is functionally modified to introduce trifluoromethyl and cyanyl groups to achieve the synthesis of the target product. The key to this route lies in the optimization of the reaction conditions at each step to ensure the selectivity and yield of the reaction.
Second, pyrrole derivatives can also be used as starting materials. First, the pyrrole ring is brominated, and bromine atoms are introduced at specific positions. This reaction requires the activity and reaction selectivity of pyrrole rings, and the appropriate brominating reagents and reaction conditions are selected. Then, 4-chlorophenyl is introduced at another position of the pyrrole ring through nucleophilic substitution. Subsequently, ethoxy methyl and trifluoromethyl are introduced, and finally cyanyl is introduced. This approach focuses on the order in which each functional group is introduced to avoid unnecessary side reactions and improve the synthesis efficiency.
Third, a convergence synthesis strategy can also be tried. First, fragments containing different key functional groups are constructed, such as pyrrole fragments containing bromine and ethoxy methyl, 4-chlorophenyl fragments and fragments containing trifluoromethyl and cyanyl groups. After that, through a suitable coupling reaction, the fragments are connected to obtain the target product. The advantage of this method is that each fragment can independently optimize the synthesis conditions, and the flexibility and efficiency of the overall synthesis can be improved during the final coupling, but the accuracy of the synthesis of each fragment and the coupling reaction conditions are quite high.
What are the physical properties of 4-bromo-2- (4-chlorophenyl) -1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile
4 - bromo - 2 - (4 - chlorophenyl) - 1 - ethoxymethyl - 5 - trifluoromethyl - 1H - pyrrole - 3 - carbonitrile, this is an organic compound. Its physical properties are very important, related to its performance in various chemical processes and practical applications.
Looking at its properties, it is often in a solid state. Due to the intermolecular forces, it maintains a solid structure at room temperature and pressure. The color state of this compound, or white to light yellow powder, is related to the absorption and reflection of light by the molecular structure.
Melting point is also a key physical property. It has been experimentally determined that its melting point is within a certain temperature range, which depends on the strength of intermolecular forces. When the temperature rises to the melting point, the molecule is energized enough to overcome some intermolecular forces, and then changes from solid to liquid. The boiling point of
cannot be ignored. Although it is difficult to determine its boiling point under normal pressure, it can be measured under reduced pressure. The boiling point reflects the energy required for a compound to change from liquid to gas, and is closely related to the intermolecular forces and molecular weight.
In terms of solubility, this compound exhibits certain solubility in organic solvents such as dichloromethane, N, N-dimethylformamide (DMF). This is because van der Waals forces or other weak interactions can be formed between organic solvents and compound molecules, causing them to dissolve. In water, its solubility is poor, because the force between water molecules and compound molecules is weak, and the molecular polarity of the compound does not match the polarity of the water molecule.
In addition, density is also one of the physical properties of the compound. Although the exact density needs to be accurately determined experimentally, according to its molecular structure and constituent elements, it can be estimated that its density is in a similar range to that of common organic compounds. Density reflects the mass of the compound per unit volume and is of great significance in the separation, purification and related chemical operations of the compound.
In summary, the physical properties of 4 - bromo - 2 - (4 - chlorophenyl) - 1 - ethoxymethyl - 5 - trifluoromethyl - 1H - pyrrole - 3 - carbonitrile, such as its properties, color state, melting point, boiling point, solubility and density, etc., are crucial for its research and application in the field of organic chemistry.
What are the chemical properties of 4-bromo-2- (4-chlorophenyl) -1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile
4 - bromo - 2 - (4 - chlorophenyl) - 1 - ethoxymethyl - 5 - trifluoromethyl - 1H - pyrrole - 3 - carbonitrile is an organic compound with unique chemical properties. It contains halogen atoms such as bromine, chlorine, and trifluoromethyl, which endows the compound with specific chemical activity and stability.
From the perspective of reactivity, the bromine atom has high activity. Due to the good departure properties of bromine atoms, this compound can participate in nucleophilic substitution reactions. If appropriate nucleophilic reagents exist, bromine atoms can be replaced by nucleophilic reagents to generate new derivatives. This property can be used to construct complex molecular structures and expand the variety of compounds in organic synthesis.
Although the activity of chlorine atom is slightly lower than that of bromine atom, it affects the distribution of molecular electron cloud, which in turn affects its reactivity. Its existence reduces the density of benzene ring electron cloud, changes the activity of benzene ring electrophilic substitution reaction, and affects the attack position and difficulty of electrophilic reagents.
Trifluoromethyl has strong electron-absorbing properties, which significantly changes the distribution and polarity of molecular electron cloud. Enhances the polarity of molecules, affecting their physical properties, such as solubility. In the reaction, trifluoromethyl can stabilize adjacent carbon negative ions, which has a great influence on reactions involving carbon negative ion intermediates, or promotes such reactions.
Cyanyl group as a strong electron-absorbing group also changes the molecular electronic structure and enhances molecular polarity. Cyanyl groups can participate in a variety of reactions, such as hydrolysis to form carboxyl groups, or addition reactions with nucleophiles, which are important functional group conversion pathways in organic synthesis.
Ether bonds (ethoxy methyl moiety in 1-ethoxymethyl) are relatively stable, but their α-carbon atoms can be activated under specific conditions and participate in some reactions. For example, under the action of strong oxidants, α-carbon atoms may undergo oxidation reactions.
This compound exhibits unique chemical properties due to the interaction of functional groups. It may have potential applications in organic synthesis, medicinal chemistry and other fields. It can be used as an intermediate for the synthesis of compounds with specific biological activities or functional materials.
What is the price range of 4-bromo-2- (4-chlorophenyl) -1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile in the market?
I have not obtained 4 - bromo - 2 - (4 - chlorophenyl) - 1 - ethoxymethyl - 5 - trifluoromethyl - 1H - pyrrole - 3 - carbonitrile in the exact price range on the market. This compound is not widely known and common, and its price is affected by many factors.
First, purity is the key factor. If high purity is required, such as for fine pharmaceutical synthesis or scientific research precision experiments, the preparation is difficult, the cost is high, and the price is high; low purity is used for basic research or non-critical steps, and the price is relatively easy.
Second, the yield has a great impact. Large demand leads to the expansion of production scale, and the unit cost may be reduced. However, raw materials are scarce and the process is complicated. Even if mass production is produced, the price is difficult to be low. When a small amount of demand is required, the cost of customized production may be high.
Third, the complexity of the preparation process is related to the price. If the synthesis requires multi-step reactions, special reagents or harsh conditions, the cost will increase greatly, and the price will rise accordingly; simple process, the cost will be controllable, and the price will decrease.
Fourth, market supply and demand determine the price. More demand and less supply, prices will rise; conversely, abundant supply and less demand will lead to lower prices.
For the exact price range, you can consult professional chemical product suppliers, chemical trading platforms, or refer to recent relevant transaction records and market survey reports. However, due to the changeable market dynamics, the real-time price is subject to the current consultation.