What is the chemical structure of (E)-3-(4-Bromo-2-fluorophenyl)acrylic acid?

(E)-3-(4-Bromo-2-fluorophenyl)acrylic acid is an organic compound with a specific chemical structure.
Let's break down its structure description.Let's look at its structure. First, the "phenyl" part indicates a benzene ring.The "phenyl", or "benzene" part, indicates a benzene-ring. A benzene ring is a six - membered carbon - carbon ring with alternating single and double bonds.A benzene is a six-membered carbon-carbon ring with alternate single and double bonds. In this case, the benzene ring has two substituents, a bromine atom at the 4 - position and a fluorine atom at the 2 - position relative to the point of attachment of the rest of the molecule to the benzene ring.In this case, the six-membered benzene rings have two substituents: a bromine at the 4 'position and a fluorine at the 2 'position relative to the point where the rest of molecule attaches to the benzene.

The "acrylic acid" part is an unsaturated carboxylic acid.The "acrylic" part is a carboxylic acid that is unsaturated. The general formula of acrylic acid is CH2=CH - COOH.The general formula for acrylic acid is CH2=CH-COOH. Here, the benzene ring with the bromine and fluorine substituents is attached to the carbon - carbon double bond of the acrylic acid structure.The benzene ring is attached to the double carbon-carbon bond of the acrylic structure.

The (E) - notation in the name indicates the configuration around the carbon - carbon double bond in the acrylic acid part.The (E)-notation in the name indicates that the double bond is formed around the carbon-carbon in the acrylic acid component. In the E - configuration, the higher - priority groups are on opposite sides of the double bond.In the E-configuration, the higher-priority groups are on the opposite side of the double-bond. The carboxylic acid group (-COOH) and the benzene ring with its substituents are considered the higher - priority groups in this molecule.The higher - priority group in this molecule is the carboxylic acid (-COOH) group and the benzene with its substituents.

To summarize, the chemical structure of (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid consists of a benzene ring having a bromine at the 4 - position and a fluorine at the 2 - position, which is connected to the carbon - carbon double bond of an acrylic acid molecule.The chemical structure of (E-3)-3-(4-Bromo- 2-fluorophenyl-acrylic acid is a benzene-ring with a bromine in the 4'position and a Fluorine in the 2'position. This ring is connected to the double carbon-carbon bond of the acrylic acid molecule. The configuration around this double bond is such that the carboxylic acid group and the benzene - based substituent are on opposite sides, as denoted by the (E) - prefix.The carboxylic group and benzene-based substituent are on the opposite side of this double bond, as indicated by the (E - prefix. This structural arrangement gives the molecule its unique chemical and physical properties, which are important in various chemical reactions and potentially in applications such as in the synthesis of pharmaceuticals or other organic compounds.This structural arrangement gives the molecules its unique chemical properties and physical properties. These are important for various chemical reactions, and could be used in applications like the synthesis or pharmaceuticals.

What are the applications of (E)-3-(4-Bromo-2-fluorophenyl)acrylic acid?

(E)-3-(4-Bromo-2-fluorophenyl)acrylic acid has several important applications.
In the field of medicinal chemistry, it can serve as a key intermediate for the synthesis of various bioactive compounds.It can be used as an intermediate in the field of medicinal chemical to synthesize various bioactive compounds. The bromine and fluorine substituents on the phenyl ring can significantly influence the biological activity of the final products.The biological activity of final products can be significantly affected by the fluorine and bromine substituents attached to the phenyl rings. For example, the bromine atom can participate in halogen - bonding interactions, which are crucial in drug - receptor binding.The bromine atom, for example, can participate in halogen-bonding interactions that are crucial to drug-receptor binding. This can enhance the affinity and selectivity of potential drugs.This can increase the affinity and selectivity for potential drugs. Fluorine, on the other hand, is known to increase the lipophilicity of molecules, improving their ability to cross cell membranes.Fluorine is known to increase a molecule's lipophilicity, allowing it to better cross cell membranes. Compounds derived from (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid may be designed to target specific enzymes or receptors, potentially leading to the development of new drugs for treating diseases such as cancer, where specific enzyme inhibition is a common therapeutic strategy.Compounds derived by (E)-3 - (4 - Bromo-2 - Fluorophenyl - Acrylic Acid may be designed to target certain enzymes or receptors. This could lead to the development of drugs to treat diseases such as cancer.

In materials science, this compound can be used in the synthesis of functional polymers.This compound can be used to synthesize functional polymers in materials science. The acrylic acid moiety can undergo polymerization reactions, incorporating the 4 - bromo - 2 - fluorophenyl group into the polymer backbone.The acrylic acid moiety may undergo polymerization reactions that incorporate the 4 -bromo -2 -fluorophenyl groups into the polymer's backbone. These polymers may exhibit unique optical or electronic properties.These polymers can exhibit unique optical and electronic properties. The bromine and fluorine atoms can modify the charge - transfer characteristics of the polymer, making it useful in applications such as organic optoelectronic devices.The fluorine and bromine atoms can alter the charge-transfer characteristics of the polymer. This makes it useful for applications such as organic optical-electronic devices. For instance, in organic light - emitting diodes (OLEDs), polymers with precisely tuned optical properties are required to emit light of specific wavelengths with high efficiency.In organic light-emitting diodes, polymers with precisely controlled optical properties are needed to emit light at specific wavelengths and with high efficiency. The (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid - based polymers could potentially contribute to the development of more efficient and colorful OLEDs.The polymers based on (E)-3 - (4 - Bromo-2 - Fluorophenyl - Acrylic Acid - could contribute to the development and production of more efficient OLEDs.

Furthermore, in the area of chemical research, it can be utilized as a building block for the creation of complex organic molecules.In the field of chemical research it can also be used as a building-block for the creation complex organic molecules. Chemists can perform a variety of reactions on the bromine, fluorine, and the double bond of the acrylic acid part.Chemists are able to perform a wide range of reactions on the fluorine and the double bond in the acrylic acid. The bromine can be substituted with different nucleophiles through reactions like Suzuki - Miyaura coupling, enabling the construction of extended aromatic systems.Through Suzuki-Miyaura couplings, the bromine can be replaced with different nucleophiles. This allows for the construction of extended aromatic system. The double bond can be subjected to addition reactions, further diversifying the molecular structure.Double bonds can be subjected addition reactions to further diversify the molecule's structure. This allows for the synthesis of molecules with specific geometric and electronic features, which are essential for understanding fundamental chemical reactions and developing new synthetic methodologies.This allows the synthesis of molecules that have specific geometric and electrical features, which is essential for understanding fundamental chemistry and developing new synthesizing methodologies. Overall, (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid is a versatile compound with far - reaching applications in multiple scientific disciplines.(E)-3 - (4 - Bromo-2 - Fluorophenyl - Acrylic Acid is a versatile chemical compound that has many applications in various scientific disciplines.

What are the properties of (E)-3-(4-Bromo-2-fluorophenyl)acrylic acid?

( E ) - 3 - ( 4 - Bromo - 2 - fluorophenyl ) acrylic acid has several important properties.The properties of ( E )- 3 – ( 4 - bromo - 2- fluorophenyl) acrylic acid are quite important.
Physical properties

In terms of appearance, it is likely to be a solid at room temperature.It is likely that it will appear as a solid when at room temperature. This is because many aromatic carboxylic acids with similar structures tend to be solids.This is because many aromatic carbohydrates with similar structures are solids. The presence of the relatively large 4 - bromo - 2 - fluorophenyl group and the carboxylic acid functional group contributes to intermolecular forces that hold the molecules together in a solid lattice.The presence of a relatively large 4-bromo-2-fluorophenyl and carboxylic acid functional groups contributes to the intermolecular force that holds the molecules together into a solid lattice.

Melting point: The melting point is influenced by the strength of these intermolecular forces.Melting point: This is affected by the strength of intermolecular forces. The bromine and fluorine atoms in the phenyl ring add to the molecule's polarity.The phenyl ring contains fluorine and bromine atoms, which increase the polarity of the molecule. The carboxylic acid group can form strong hydrogen bonds with adjacent molecules.The carboxylic group can form strong hydrogen bond with adjacent molecules. These combined interactions result in a relatively high melting point compared to non - polar or less polar organic compounds.These interactions together result in a relatively higher melting point than non-polar or less polar compounds.

Solubility: It has limited solubility in non - polar solvents like hexane due to its polar nature.Due to its polarity, it has limited solubility with non-polar solvents such as hexane. However, it shows better solubility in polar solvents such as ethanol, methanol, and water to some extent.It is more soluble in polar solvents like ethanol, water, and methanol. The carboxylic acid group can interact with polar solvents through hydrogen bonding.Hydrogen bonding allows the carboxylic acid to interact with polar solvents. In water, the carboxylic acid can also undergo partial dissociation, which further enhances its solubility.In water, carboxylic acids can also undergo partial dissociation which increases their solubility.

Chemical properties

Acidity: The carboxylic acid group in ( E ) - 3 - ( 4 - bromo - 2 - fluorophenyl ) acrylic acid is acidic.Acidity: The carboxylic group in (E ) – 3 – ( 4 – bromo – 2 -fluorophenyl) acrylic acid is an acid. It can donate a proton in the presence of a base.It can donate one proton when a base is present. The acidity is affected by the electron - withdrawing nature of the bromine and fluorine atoms on the phenyl ring.The electron-removing nature of bromine and fluorine on the phenyl rings affects the acidity. These halogen atoms withdraw electron density from the carboxylic acid group, stabilizing the conjugate base formed after proton donation.These halogens remove electron density from carboxylic acid groups, stabilizing conjugate bases formed after proton donor. As a result, the compound is more acidic than acrylic acid itself.The compound is therefore more acidic than the acrylic acid itself.

Reactivity of the double bond: The carbon - carbon double bond in the acrylic acid part of the molecule is reactive.Double bond reactivity: The double bond carbon-carbon in the acrylic acid portion of the molecule has a high level of reactivity. It can undergo addition reactions.It can undergo addition reaction. For example, it can react with bromine in an electrophilic addition reaction to form a dibromo - derivative.It can, for example, react with bromine to form a dibromo-derivative in an electrophilic reaction. This double bond can also participate in polymerization reactions under appropriate conditions, similar to other acrylic acid derivatives.This double bond, like other acrylic acid derivatives, can participate in polymerization under the right conditions.

Reactivity of the phenyl ring: The 4 - bromo - 2 - fluorophenyl group can undergo substitution reactions.Reactivity of phenyl rings: The 4 – bromo – 2 – fluorophenyl can undergo substitution reactions. The bromine atom, being a good leaving group, can be replaced in nucleophilic aromatic substitution reactions under specific reaction conditions.Bromine is a good leaving group and can be substituted in nucleophilic aromatic replacement reactions under certain conditions. The fluorine atom, although less reactive in direct substitution compared to bromine, can still influence the reactivity of the phenyl ring towards other reagents due to its electron - withdrawing effect.Fluorine, while less reactive than bromine in direct substitution, can still affect the reactivity towards other reagents of the phenyl rings due to its electron-withdrawing effect.

In summary, ( E ) - 3 - ( 4 - bromo - 2 - fluorophenyl ) acrylic acid has physical properties related to its polarity and intermolecular forces, and chemical properties that are characteristic of carboxylic acids, alkenes, and aromatic compounds with halogen substituents.The physical properties of ( E ), - 3 ( 4 – bromo – 2 – fluorophenyl) acrylic acid are related to its polarity, as well as its intermolecular force. It also has chemical properties that are typical of carboxylics acids, alkenes and aromatic compounds with halogen substitutes.

How is (E)-3-(4-Bromo-2-fluorophenyl)acrylic acid synthesized?

Here is a general way to synthesize (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid:Here is a general method to synthesize (E - 3-(4 – Bromo – 2 – Fluorophenyl )acrylic acid.
Step 1: Preparation of the starting material - 4 - Bromo - 2 - fluorobenzaldehydeStep 1 : Preparation the starting material – 4 - Bromo and 2 - Fluorobenzaldehyde
4 - Bromo - 2 - fluorotoluene can be used as the starting compound.As a starting compound, 4 - Bromo-2 - Fluorotoluene is suitable. It can be oxidized to 4 - Bromo - 2 - fluorobenzaldehyde.It can be oxidized into 4 - Bromo 2 - Fluorobenzaldehyde. One common method for this oxidation is using a reagent like chromic acid or a mixture of potassium permanganate and sulfuric acid under carefully controlled reaction conditions.This oxidation can be performed using chromic or potassium permanganate in a carefully controlled reaction. The toluene side - chain methyl group is oxidized to an aldehyde group.The methyl group on the side-chain of toluene is oxidized into an aldehyde. The reaction is carried out in an appropriate solvent such as acetic acid or a mixture of water and an organic co - solvent.The reaction takes place in a suitable solvent, such as acetic or a mixture containing water and organic co-solvent. Temperature control is crucial as over - oxidation can lead to the formation of carboxylic acid instead of the desired aldehyde.Temperature control is important as over-oxidation can result in the formation of carboxylic acids instead of the desired product.

Step 2: Knoevenagel condensation
The 4 - Bromo - 2 - fluorobenzaldehyde obtained in the previous step is reacted with malonic acid in the presence of a base catalyst.In the presence of a catalyst, the 4 - Bromo-2 - Fluorobenzaldehyde produced in the previous step reacts with malonic acid. Pyridine is a commonly used base for this reaction.Pyridine is commonly used as a base in this reaction. The reaction mechanism involves the deprotonation of malonic acid by the base to form a reactive enolate ion.The reaction involves deprotonation by the base of malonic acid to form a reactive Enolate ion. This enolate ion then attacks the carbonyl carbon of 4 - Bromo - 2 - fluorobenzaldehyde.This enolate then attacks the carbonyl atom of 4 - Bromo 2 - Fluorobenzaldehyde. A series of proton transfer and elimination steps follow.Then, a series of proton transfers and eliminations are performed. The initial adduct formed eliminates a molecule of carbon dioxide to give (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid.The initial adduct forms eliminates a carbon dioxide molecule to give (E-3)-3-(4-bromo-2-fluorophenylacrylic acid. The reaction is usually carried out in a refluxing organic solvent such as pyridine itself.The reaction is carried out in an organic solvent that is pyridine. The refluxing conditions help to drive the reaction forward by facilitating the elimination of carbon dioxide.The refluxing conditions accelerate the reaction by facilitating the removal of carbon dioxide.

Step 3: Purification
After the reaction is complete, the reaction mixture is usually worked up.The reaction mixture is usually worked after the reaction has been completed. First, the reaction mixture is cooled and then acidified with a dilute acid such as hydrochloric acid.The reaction mixture is first cooled, and then acidified using a dilute solution of hydrochloric or acetic acid. This protonates any basic species and precipitates the (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid.This precipitates (E)-3 - (4 - Bromo 2 - Fluorophenyl )acrylic acid. The crude product is then filtered and washed with water to remove any water - soluble impurities.The crude product is then washed in water and filtered to remove any impurities that are water-soluble. Further purification can be achieved by recrystallization from an appropriate solvent system.Recrystallization using an appropriate solvent system can be used to achieve further purification. For example, a mixture of ethanol and water can be used as a recrystallization solvent.As an example, a mixture ethanol and water could be used as a solvent for recrystallization. The recrystallization process helps to obtain the pure (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid with a high degree of purity, which is important for further applications in research or industrial processes.The recrystallization procedure helps obtain (E)-3 - (4 - Bromo 2 - Fluorophenyl - Acrylic Acid with a high purity. This is important for future applications in industrial or research processes.

What are the safety precautions when handling (E)-3-(4-Bromo-2-fluorophenyl)acrylic acid?

When handling (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid, several safety precautions should be taken.Safety precautions are necessary when handling (E)-3 - (4 - Bromo-2 - Fluorophenyl-acrylic acid.
First, personal protective equipment is essential.Personal protective equipment is a must. Wear appropriate laboratory coats to prevent any splashes or spills from coming into contact with your regular clothing.Wear the appropriate laboratory coats so that any splashes and spills do not come into contact with your normal clothing. Safety goggles are a must to protect your eyes from potential splashes.Safety goggles will protect your eyes against potential splashes. This compound might accidentally get into the eyes during weighing, transferring, or other handling processes, which could cause severe irritation or damage.This compound could accidentally get into your eyes during weighing, transfer, or other handling procedures, causing severe irritation or damage. Gloves made of suitable materials like nitrile should be worn.Wear gloves made from nitrile or other suitable materials. The gloves not only protect your hands from direct contact with the acid but also prevent any contamination of the compound from substances on your hands.The gloves will not only protect you from direct contact with acid, but they will also prevent contamination of the compound by substances on your hand.

Second, work in a well - ventilated area, preferably under a fume hood.Second, work in an area that is well-ventilated, preferably with a fume hood. (E)-3-(4 - Bromo - 2 - fluorophenyl)acrylic acid may emit fumes, especially when heated or in concentrated forms.The fumes from (E)-3 - (4 - Bromo-2 - Fluorophenyl - Acrylic Acid can be a problem, especially if heated or concentrated. A fume hood effectively removes these fumes from the breathing zone, reducing the risk of inhaling harmful vapors.A fume hood removes these fumes effectively from the breathing area, reducing the chance of inhaling harmful fumes. Inhaling these fumes could potentially irritate the respiratory tract, causing coughing, shortness of breath, or more serious long - term health effects.Inhaling these fumes can cause irritation to the respiratory tract and lead to coughing, shortness or breath, as well as more serious long-term health effects.

Third, proper storage is crucial.Third, the right storage is essential. Store the compound in a cool, dry place, away from heat sources and incompatible substances.Store the compound in an area that is cool and dry, away from heat sources or incompatible substances. It should be kept in a tightly sealed container to prevent moisture absorption and evaporation.Keep it in a tightly-sealed container to prevent moisture absorption or evaporation. Moisture can sometimes react with the acid, altering its chemical properties, and evaporation can lead to the release of fumes in the storage area.Moisture can react with the acrylic acid, changing its chemical properties. Evaporation can also lead to fumes being released in the storage area. Also, avoid storing it near strong oxidizing agents or bases, as these can react violently with the acrylic acid.Avoid storing acrylic acid near strong oxidizing or base agents, as they can react violently.

Fourth, when handling the compound, use proper techniques.When handling the compound, it is important to use the correct techniques. When weighing it, use clean and dry weighing boats or paper.Use clean, dry weighing paper or boats when weighing the compound. Avoid sudden movements that could cause spills.Avoid sudden movements which could cause spills. In case of a spill, immediately clean it up following the proper spill - response procedures.If a spill occurs, clean it immediately using the appropriate spill-response procedures. Small spills can be absorbed with an appropriate absorbent material, and then the contaminated absorbent should be disposed of in a proper waste container.Small spills can easily be cleaned up with a suitable absorbent material. The contaminated absorbent then needs to be disposed in a proper waste container.

Finally, be aware of the potential health hazards.Be aware of potential health hazards. If skin contact occurs, immediately wash the affected area with plenty of water for at least 15 minutes and seek medical attention if irritation persists.If skin contact occurs immediately wash the area with lots of water for 15 minutes. Seek medical attention if irritation continues. In case of eye contact, flush the eyes with copious amounts of water for an extended period and get medical help promptly.If you have eye contact, wash your eyes for a long time with a lot of water. Seek medical attention immediately. If inhaled, move to fresh air immediately and if symptoms like difficulty breathing occur, call for emergency medical services.If inhaled, get to fresh air as soon as possible. If symptoms such breathing difficulties occur, call emergency medical services.