What are the main applications of (2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid?

(2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid has several main applications.
In the field of medicinal chemistry, it can serve as an important 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. Its unique chemical structure, with the fluorine and methoxy substituents on the phenyl ring along with the acrylic acid moiety, provides opportunities for the design and development of drugs.Its unique chemistry, which includes the fluorine, methoxy, and acrylic acid moiety on the phenyl rings, offers opportunities for drug design and development. The fluorine atom can enhance lipophilicity, which may improve cell permeability of the resulting compounds.The fluorine atom may enhance lipophilicity and improve the cell permeability. This property can be exploited to create molecules that can more effectively reach their biological targets within cells.This property can be used to create molecules which can reach their biological targets more effectively within cells. The methoxy group can also influence the electronic properties of the molecule, potentially modulating its binding affinity to specific receptors or enzymes.The methoxy group may also affect the electronic properties of a molecule, modulating its affinity for binding to specific enzymes or receptors. For example, it could be used in the synthesis of anti - inflammatory drugs.It could be used to synthesize anti-inflammatory drugs. By modifying the structure around this core compound, researchers can potentially develop molecules that interact with key proteins involved in the inflammatory pathways, such as cyclooxygenase enzymes.Researchers can modify the structure of this core compound to create molecules that interact with proteins involved in inflammatory pathways such as cyclooxygenase.

In the area of materials science, (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid can contribute to the synthesis of functional polymers. When polymerized, the acrylic acid part can participate in various polymerization reactions, such as radical polymerization.The acrylic acid can be polymerized to participate in different polymerization reactions such as radical polymerization. The fluorine - containing phenyl group can impart special properties to the resulting polymers.The phenyl group containing fluorine can give special properties to the polymers. Fluorinated polymers often exhibit enhanced chemical resistance, low surface energy, and improved thermal stability.Fluorinated Polymers are often characterized by enhanced chemical resistance, reduced surface energy and improved thermal stability. These polymers can be used in coatings, for instance.These polymers are suitable for coatings. Coatings made from polymers derived from this compound may be resistant to chemicals, making them suitable for protecting surfaces in harsh industrial environments.Coatings made of polymers derived this compound can be resistant to chemicals. This makes them suitable for protecting surfaces within harsh industrial environments. They can also have low - friction properties, which is useful for applications where reducing friction between surfaces is crucial, like in some mechanical components.They can also have low-friction properties, which are useful in applications where reducing the friction between surfaces, such as mechanical components, is important.

Furthermore, in the agrochemical industry, this compound can be a building block for the synthesis of pesticides or herbicides.This compound can also be used as a building-block in the agrochemical sector to synthesize pesticides and herbicides. The specific combination of functional groups can be tailored to target particular pests or weeds.Combinations of functional groups can target specific pests or weeds. The fluorine atom, for example, can increase the compound's persistence and bioactivity in the environment.The fluorine atom can, for example increase the compound's bioactivity and persistence in the environment. The methoxy - substituted phenyl ring can contribute to the molecule's ability to bind to specific receptors or enzymes in pests or plants, interfering with their normal physiological functions.The methoxy-substituted phenyl rings can enhance the molecule's ability of binding to specific receptors and enzymes on pests or plants. This can interfere with their normal physiological function. This can lead to the development of more effective and selective agrochemicals that are less harmful to non - target organisms.This can lead to more selective and effective agrochemicals, which are less harmful to non-target organisms. Overall, (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid is a versatile compound with significant potential across multiple industries.

What are the key properties of (2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid?

(2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid is an organic compound with several key properties.
Physical Properties

Appearance: It is likely to exist as a solid at room temperature, given the relatively high molecular weight and the presence of intermolecular forces such as hydrogen bonding and van der Waals forces.Appearance: It will likely exist as a solid in room temperature due to its relatively high molecular mass and the presence of intermolecular interactions such as hydrogen bonds and van der Waals force. The solid may be in the form of crystals, which can be determined through techniques like X - ray crystallography.The solid could be in the form crystals. This can be determined using techniques such as X-ray crystallography.

Melting Point: The melting point of this compound is an important physical property.Melting Point: This compound's melting point is an important property. The presence of the polar groups such as the carboxylic acid (-COOH) and the methoxy (-OCH3) group, along with the fluorine atom in the phenyl ring, affects the intermolecular interactions.Intermolecular interactions are affected by the presence of polar groups, such as the carboxylic (-COOH), and methoxy ( -OCH3) groups, along with fluorine in the phenyl rings. The carboxylic acid group can form strong hydrogen bonds with neighboring molecules.The carboxylic group can form strong hydrogen bond with neighboring molecules. These hydrogen bonds increase the energy required to break the crystal lattice, resulting in a relatively high melting point.These hydrogen bonds increase energy required to break a crystal lattice.

Solubility: In terms of solubility, it has some polar functional groups.It has a few polar functional groups. The carboxylic acid group can participate in hydrogen bonding with water molecules.The carboxylic acids can form hydrogen bonds with water molecules. However, the hydrophobic nature of the phenyl ring, especially with the fluorine substitution, limits its solubility in water.The hydrophobic nature, especially when the fluorine is substituted, limits the solubility of the phenyl group in water. It is likely to be more soluble in polar organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO).It is more soluble in polar solvents like ethanol, methanol and dimethyl sulfoxide. These solvents can interact with both the polar and non - polar parts of the molecule through hydrogen bonding and van der Waals forces respectively.These solvents can interact both with the non-polar and polar parts of the molecules through hydrogen bonds and van der Waals force respectively.

Chemical Properties

Acidity: The carboxylic acid group (-COOH) in (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid gives it acidic properties. It can donate a proton (H+) in an aqueous solution or in the presence of a base.It can donate a proton (H+) when in an aqueous or base solution. The pKa value of the carboxylic acid group can be influenced by the substituents on the phenyl ring.The substituents on phenyl rings can influence the pKa of the carboxylic group. The electron - withdrawing fluorine atom can increase the acidity of the carboxylic acid group by stabilizing the conjugate base through the inductive effect.The electron-withdrawing fluorine can increase the acidity by stabilizing the conjugate bases through the inductive effects. The methoxy group, on the other hand, is electron - donating, which may slightly decrease the acidity compared to a situation where there is no methoxy group.The methoxy groups, on the contrary, are electron-donating, which can slightly decrease acidity in comparison to a situation without methoxy groups. Overall, the balance between these two effects determines the exact pKa value.The balance between these effects determines the exact value of pKa.

Reactivity of the Double Bond: The compound contains a carbon - carbon double bond in the acrylic acid moiety.Double Bond Reactivity: The acrylic acid moiety contains a double bond of carbon to carbon. This double bond is reactive towards electrophilic addition reactions.This double bond is reactive to electrophilic additions. For example, it can react with bromine (Br2) in a bromination reaction.It can, for example, react with bromine in a bromination. The double bond can also participate in polymerization reactions under appropriate conditions.Under the right conditions, the double bond can participate in polymerization. Radical initiators can be used to start the polymerization process, where multiple molecules of (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid can join together to form a polymer.

Reactivity of the Phenyl Ring: The phenyl ring with the fluorine and methoxy substituents can undergo electrophilic aromatic substitution reactions.Reactivity of the Phenyl Ring. The phenyl rings with fluorine and methoxy substitutes can undergo electrophilic substitution reactions. The methoxy group is an ortho - para directing group, while the fluorine atom, although electron - withdrawing, also shows some ortho - para directing tendency.The methoxy group has an ortho-para directing property, while the fluorine, despite its electron-withdrawing tendency, also exhibits some ortho-para directing characteristics. This means that incoming electrophiles are likely to attack the positions on the phenyl ring that are ortho or para to these substituents.This means that electrophiles will attack positions on the phenyl rings that are ortho or par to these substituents. For instance, in a nitration reaction, the nitro group (-NO2) will preferentially substitute at the ortho or para positions relative to the methoxy and fluorine groups.In a nitration, for example, the nitro group will preferentially replace the methoxy or fluorine groups at ortho or para positions.

How is (2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid synthesized?

The synthesis of (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid typically involves a series of chemical reactions. Here is a general approach.Here is a general method.
Step 1: Preparation of the starting materialStep 1 - Preparation of the initial material
Often, 4 - fluoro - 3 - methoxybenzaldehyde is used as a key starting compound.As a starting compound, it is common to use 4 -fluoro-3 -methoxybenzaldehyde. This aldehyde can be synthesized through methods such as selective halogenation and methylation of appropriate phenolic compounds.This aldehyde is synthesized by selective halogenation or methylation of phenolic compounds. For example, starting from 3 - hydroxy - 4 - fluorotoluene, methylation of the hydroxyl group can be achieved using methylating agents like dimethyl sulfate in the presence of a base such as potassium carbonate.In the presence of a base, such as potassium carbonate, dimethyl sulfate can be used to methylate the hydroxyl group of 3 - hydroxy-4 - fluorotoluene. Subsequent oxidation of the methyl group to an aldehyde can be carried out using suitable oxidizing agents like chromic acid or a more selective reagent like Dess - Martin periodinane.The oxidation of a methyl group into an aldehyde is then carried out by using oxidizing agents such as chromic or a more specific reagent such as Dess-Martin periodinane.

Step 2: Knoevenagel condensation
The 4 - fluoro - 3 - methoxybenzaldehyde is then reacted with a compound containing an active methylene group in a Knoevenagel condensation reaction.In a Knoevenagel reaction, the 4 -fluoro -3 - methoxybenzaldehyde reacts with a compound that contains an active methylene. Malonic acid is a commonly used reagent for this purpose.Malonic acid is commonly used as a reagent in this reaction. The reaction is usually catalyzed by a weak base, such as piperidine.The reaction is catalyzed most often by a weak acid, such as piperidine. In the presence of a solvent like pyridine, the aldehyde group of 4 - fluoro - 3 - methoxybenzaldehyde reacts with the active methylene group of malonic acid.In the presence a solvent such as pyridine, an aldehyde of 4 -fluoro -3 - methoxybenzaldehyde will react with the active methylene of malonic acid. The carbonyl group of the aldehyde undergoes nucleophilic addition by the enolate ion formed from malonic acid.The enolate formed from malonic acids acts as a nucleophile to add the carbonyl group in the aldehyde. This is followed by dehydration, resulting in the formation of (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acryloyl acid. The overall reaction can be represented as:The overall reaction is represented by:
4 - fluoro - 3 - methoxybenzaldehyde + malonic acid - (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid + CO2 + H2O

Step 3: Purification
After the reaction is complete, the crude product usually needs to be purified.Purification is usually required after the reaction has finished. This can be achieved through techniques such as recrystallization.This can be done using techniques like recrystallization. The reaction mixture is first cooled to allow the formation of crystals.The reaction mixture must first be cooled in order to form crystals. The crude product is then dissolved in a suitable solvent system, such as a mixture of ethanol and water.The crude product is dissolved in an appropriate solvent system, like a mixture of water and ethanol. By carefully controlling the temperature and solvent ratio, the (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid can be selectively crystallized out, while impurities remain in the solution. Filtration and drying of the crystals yield the pure final product.The final product is obtained by filtering and drying the crystals.

In summary, the synthesis of (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid involves preparing the starting aldehyde, carrying out a Knoevenagel condensation reaction, and purifying the product to obtain the desired compound with high purity.

What are the potential risks and safety considerations associated with (2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid?

(2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid is a chemical compound that may pose several potential risks and requires specific safety considerations.
One of the main potential risks is its toxicity.Its toxicity is one of the biggest risks. While the exact toxicity profile may vary depending on the route of exposure and dose, it could potentially cause harm to living organisms.It is possible that it can cause harm to living organisms, even though the exact toxicity profile will vary depending on the dose and the route of exposure. Ingestion might lead to adverse effects on the digestive system, such as nausea, vomiting, and abdominal pain.Ingestion could cause adverse effects to the digestive system such as nausea, vomiting and abdominal pain. If absorbed through the skin, it could cause skin irritation, redness, itching, or even allergic reactions in some individuals.It can cause skin irritations, redness, itchiness, and even allergic reactions if absorbed through the surface of the skin. Inhalation of its dust or vapors, if applicable, could irritate the respiratory tract, leading to coughing, shortness of breath, and potentially more serious respiratory problems over time.Inhaling its dust or vapors could cause irritation of the respiratory tract. This can lead to coughing, shortness in breath, and even more serious respiratory problems.

Another risk is its potential environmental impact.A second risk is the potential impact on the environment. If released into the environment, it may contaminate water sources, soil, and air.It can contaminate soil, water, and the air if released into the environment. It could affect aquatic life in water bodies, disrupting their normal physiological functions and potentially harming entire ecosystems.It could disrupt the normal physiological functions of aquatic life and harm entire ecosystems. In soil, it might interfere with plant growth and the activities of soil - dwelling organisms.In soil it could interfere with plant growth or the activities of soil-dwelling organisms.

In terms of safety considerations in a laboratory or industrial setting, proper personal protective equipment (PPE) is essential.Personal protective equipment (PPE), whether in a laboratory setting or an industrial setting, is vital for safety. Workers handling this compound should wear appropriate gloves, such as chemical - resistant gloves, to prevent skin contact.To prevent skin contact, workers handling this compound must wear gloves that are resistant to chemicals. Safety goggles or a face shield should be used to protect the eyes from any splashes.To protect the eyes, safety goggles or face shields should be worn. Adequate ventilation is crucial to avoid the build - up of vapors or dust in the air.Adequate ventilation is essential to prevent the accumulation of dust or vapors in the air. This can be achieved through the use of fume hoods in laboratory setups or proper exhaust systems in industrial facilities.This can be achieved by using fume hoods for laboratory setups, or exhaust systems for industrial facilities.

When storing (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid, it should be kept in a cool, dry place, away from sources of heat, ignition, and incompatible substances. This is to prevent chemical reactions that could lead to the release of harmful products or even explosions in extreme cases.This will prevent chemical reactions which could result in the release of harmful substances or even explosions. Additionally, proper labeling of containers is necessary to ensure that everyone handling the compound is aware of its potential hazards.Labeling containers properly is also important to make sure that anyone handling the compound knows about its potential hazards.

In case of accidental exposure, there should be clear first - aid procedures in place.If accidental exposure occurs, it is important to have clear first-aid procedures. For skin contact, the affected area should be washed thoroughly with soap and water for a sufficient amount of time.Skin contact should be thoroughly washed with soap and water. In case of eye contact, immediate and prolonged irrigation with clean water is required, followed by seeking medical attention.If eye contact occurs, it is important to rinse the eyes with clean water immediately and repeatedly, then seek medical attention. If ingested, it is important to contact a poison control center or a medical professional promptly.If the substance is ingested it is important that you contact a poison center or a medical professional immediately.

What are the differences between (2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid and other similar compounds?

(2E)-3-(4-Fluoro-3-methoxyphenyl)acrylic acid has several differences compared to other similar compounds.
One key difference lies in its specific molecular structure.One of the key differences is its molecular structure. The presence of a 4 - fluoro and 3 - methoxy substitution on the phenyl ring imparts unique electronic and steric properties.The presence of 4 -fluoro and 3-methoxy substitutions on the phenyl rings confers unique electronic and stereochemical properties. The fluorine atom is highly electronegative.The fluorine is a highly electronegative atom. This can influence the reactivity of the molecule through inductive effects, withdrawing electron density from the phenyl ring.This can affect the reactivity through inductive effects by removing electron density from phenyl rings. This can make the adjacent double bond in the acrylic acid moiety more electrophilic, potentially affecting its reactivity in addition reactions.This can make adjacent double bonds in the acrylic acid moiety electrophilic and potentially affect its reactivity. In contrast, similar compounds lacking this fluorine substitution would have different electron - density distributions around the ring and thus different reactivities.Similar compounds without this fluorine replacement would have different electron-density distributions around the rings and therefore different reactivity.

The methoxy group, on the other hand, is an electron - donating group via resonance.The methoxy group is an electron-donating group by resonance. It can increase the electron density of the phenyl ring, counterbalancing to some extent the electron - withdrawing effect of fluorine.It can increase electron density in the phenyl rings, counteracting to some extent the effect of fluorine. This combination of a fluorine and a methoxy group on the phenyl ring is not common in all similar acrylic acid derivatives.This combination of fluorine and methoxy groups on the phenyl rings is not common among all similar acrylic acids derivatives. Compounds with only one of these substituents or different substituents entirely will have distinct chemical behaviors.Compounds containing only one of these substitutes or a different substituent will exhibit distinct chemical behavior. For example, a compound with just a methoxy group may be more nucleophilic overall compared to (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid due to the absence of the electron - withdrawing fluorine.

In terms of physical properties, the specific combination of substituents can affect solubility.The specific combination of substituents may affect solubility in terms of physical properties. The polar methoxy group can enhance solubility in polar solvents to some degree.The polar methoxy groups can enhance solubility to a certain degree in polar solvents. However, the fluorine atom, while also polar, has a relatively small size and can influence the packing of molecules in the solid state.The fluorine atom is also polar but has a small size that can influence the packing in the solid state. This can result in different melting and boiling points compared to similar compounds.This can lead to different melting and boiling point compared to other compounds. For instance, a compound without the fluorine atom might have a different crystal packing arrangement, leading to a different melting point.For example, a compound lacking the fluorine might have a crystal packing arrangement that results in a different melting temperature.

Biological activity is another area where differences can be significant.The differences in biological activity can also be significant. The unique electronic and steric features of (2E)-3-(4 - Fluoro - 3 - methoxyphenyl)acrylic acid can affect its interaction with biological targets. The fluorine and methoxy groups can potentially fit into specific binding pockets of proteins or enzymes in a way that other similar compounds cannot.The fluorine groups and methoxy groups may be able to fit into specific binding pockets in proteins or enzymes that other compounds cannot. This may endow it with specific biological functions such as anti - inflammatory or anti - tumor activities that are distinct from compounds with different phenyl - ring substitutions.This may give it specific biological functions, such as anti-inflammatory or anti-tumor activities, that are different from compounds with other phenyl-ring substitutions.