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(e)-3-(2,3-difluorophenyl)acrylic Acid


Properties
Product Name (E)-3-(2,3-difluorophenyl)acrylic acid
Cas Number 143879-02-1
Formula C9H6F2O2
Molar Mass 184.14
Property 1 Appearance: white to light yellow crystalline powder
Property 2 Melting point: 140-142°C
Property 3 Solubility: soluble in water, ethanol, and chloroform
Property 4 Boiling point: not available
Property 5 Density: not available
Property 6 Stability: stable under normal temperatures and pressures
Property 7 Reactivity: can react with strong oxidizing agents
Property 8 pH: not applicable
Property 9 Flash point: not available
Property 10 Hazardous decomposition products: may produce carbon oxides and hydrogen fluoride under fire conditions
FAQ

What are the main applications of (E)-3-(2,3-difluorophenyl)acrylic acid?

(E)-3-(2,3 - difluorophenyl)acrylic acid has several important applications.
One of its key applications is in the field of pharmaceutical synthesis.One of its most important applications is in pharmaceutical synthesis. It can serve as a crucial intermediate in the preparation of various drugs.It can be used as an important intermediate in the preparations of many drugs. The unique structure of this compound, with the 2,3 - difluorophenyl group and the acrylic acid moiety, allows for the creation of molecules with specific biological activities.The unique structure of the 2,3-difluorophenyl moiety and the 2,3-difluorophenyl groups in this compound allows for the creation molecules with specific biological activity. For instance, it may be incorporated into drug candidates designed to target certain receptors or enzymes in the human body.It can be used to create drug candidates that target specific receptors or enzymes within the human body. Its fluorine atoms can enhance the lipophilicity of the final drug molecule, which can improve its ability to cross cell membranes.Its fluorine can increase the lipophilicity, which will improve the drug's ability to cross cell walls. This property is highly beneficial as it can increase the drug's bioavailability, enabling it to reach its intended target sites more effectively.This property can be very beneficial, as it increases the drug's bioavailability and allows it to reach its target sites more efficiently.

In the agrochemical industry, (E)-3-(2,3 - difluorophenyl)acrylic acid can be used in the development of pesticides and herbicides. The presence of the fluorine atoms in its structure imparts unique chemical and physical properties.The presence of fluorine in its structure confers unique chemical and physicochemical properties. These properties can contribute to the compound's effectiveness in controlling pests and weeds.These properties can increase the compound's ability to control pests and weeds. Fluorinated compounds often show enhanced stability and activity against a wide range of agricultural pests.Fluorinated compounds are often more stable and active against a variety of agricultural pests. The acrylic acid part of the molecule can participate in various chemical reactions to form more complex agrochemical formulations.The acrylic acid component of the molecule is capable of participating in a variety chemical reactions that can lead to more complex agrochemical formulations. For example, it can be polymerized or reacted with other functional groups to create substances that adhere well to plant surfaces, providing long - lasting protection.It can be polymerized, or react with other functional groups, to create substances that adhere to plant surfaces and provide long-lasting protection.

It also has applications in the area of materials science.It has also found applications in the field of materials science. This compound can be used as a monomer or a building block for the synthesis of specialty polymers.This compound can be used either as a monomer, or as a building-block for the synthesis specialty polymers. The double bond in the acrylic acid group can be polymerized, either alone or in combination with other monomers.The double bond of the acrylic acid group may be polymerized either alone or with other monomers. The resulting polymers may have unique properties such as high thermal stability, chemical resistance, and optical clarity due to the influence of the 2,3 - difluorophenyl group.The 2,3 -difluorophenyl groups can give rise to polymers with unique properties, such as high thermal resistance, chemical resistance and optical clarity. These polymers can be used in coatings, adhesives, and even in the production of optical devices.These polymers are used in coatings and adhesives as well as in the production optical devices. In coatings, they can provide protection against environmental factors while also offering good adhesion to different substrates.In coatings, these polymers can offer protection against environmental factors and also provide good adhesion to various substrates. In optical devices, the optical properties contributed by the fluorine - containing phenyl group can be exploited for applications such as waveguides or optical lenses.The optical properties of the fluorine-containing phenyl groups can be exploited in optical devices such as waveguides and optical lenses.

Furthermore, in the field of organic synthesis research, (E)-3-(2,3 - difluorophenyl)acrylic acid is a valuable reagent. Chemists can use it to explore new reaction pathways and develop novel synthetic methodologies.It can be used by chemists to explore new reactions and develop novel syntheses. Its reactivity can be tuned by modifying reaction conditions, and it can participate in a variety of reactions such as cycloadditions, Michael additions, and Heck reactions.Modifying reaction conditions can alter its reactivity. It can also participate in a wide range of reactions, including cycloadditions and Heck reactions. These reactions can lead to the formation of complex organic molecules with diverse structures, which can then be further investigated for their potential applications in different industries.These reactions can result in the formation of complex molecules with diverse structure, which can be further investigated to determine their potential applications.

What are the key properties of (E)-3-(2,3-difluorophenyl)acrylic acid?

(E)-3-(2,3 - difluorophenyl)acrylic acid is an organic compound with several key properties.
1. Chemical Structure - Geometric IsomerismGeometric Isomerism - Chemical Structure
The "(E)" in its name indicates the compound has an E - isomer (trans - isomer) configuration.The "(E)," in the name of the compound indicates that it has an E-isomer (trans-isomer) configuration. In the context of this molecule, the two higher - priority groups (the 2,3 - difluorophenyl group and the carboxylic acid group) are on opposite sides of the carbon - carbon double bond.In this molecule, two groups of higher priority (the 2,3-difluorophenyl and the carboxylic acids) are located on opposite sides of a double carbon bond. This geometric isomerism affects the physical and chemical properties of the molecule.This geometric isomerism can affect the physical and chemical properties. For example, the E - isomer generally has a more linear shape compared to its Z - isomer (cis - isomer).The E -isomer, for example, has a more linear form compared to the Z -isomer (cis-isomer). This linearity can influence how the molecule packs in the solid state and its interactions with other molecules.This linearity can affect how the molecule is packed in the solid state, and its interactions with the other molecules.

2. Physical State and SolubilityPhysical State and Solubility
Typically, (E)-3-(2,3 - difluorophenyl)acrylic acid is a solid at room temperature. The presence of the carboxylic acid group (-COOH) contributes to its relatively high melting point.The presence of carboxylic acid groups (-COOH), contributes to the relatively high melting temperature. The carboxylic acid group can form strong intermolecular hydrogen bonds with other molecules of the same compound.The carboxylic group can form strong hydrogen bonds between molecules of the compound. Regarding solubility, it has some solubility in polar solvents such as water, alcohols, and carboxylic acids due to the ability of the carboxylic acid group to hydrogen - bond with the solvent molecules.It is soluble in polar solvents like water, alcohols and carboxylics due to the ability to hydrogen-bond with the solvent molecules. However, the hydrophobic 2,3 - difluorophenyl group limits its solubility in highly polar solvents like water.The hydrophobic 2,3-difluorophenyl groups limit its solubility in highly non-polar solvents such as water. It is more soluble in less polar organic solvents such as dichloromethane, ethyl acetate, etc., which can better solvate the non - polar part of the molecule.It is more soluble when using less polar organic solvants such as dichloromethane or ethyl-acetate.

3. Reactivity - Carboxylic Acid ReactivityReactivity - Carboxylic Acid
The carboxylic acid functional group in (E)-3-(2,3 - difluorophenyl)acrylic acid is highly reactive. It can undergo acid - base reactions.It can undergo acid-base reactions. For instance, it can donate a proton (H+) in the presence of a base, forming a carboxylate anion.It can, for example, donate a proton in the presence a base to form a carboxylate anion. This property is important in many chemical processes, including the synthesis of salts.This property is crucial in many chemical reactions, including the synthesis and salts. It can also participate in esterification reactions, where it reacts with an alcohol in the presence of an acid catalyst to form an ester.It can also be used in esterification reactions where it reacts in the presence an acid catalyst with an alcohol to form an ester. This reaction is useful in the production of flavor and fragrance compounds, as well as in the synthesis of polymers.This reaction is used to produce flavor and fragrance compounds as well as polymers.

4. Reactivity - Double Bond ReactivityDouble Bond Reactivity - Reactivity of Double Bonds
The carbon - carbon double bond in the molecule is also a site of reactivity.The double carbon-carbon bond in the molecule can also be a site of reactivity. It can undergo addition reactions.It can undergo addition reaction. For example, it can react with electrophiles in electrophilic addition reactions.It can, for example, react with electrophiles during electrophilic addition. Halogens (such as bromine or chlorine) can add across the double bond, breaking the pi - bond and forming new carbon - halogen single bonds.Halogens, such as bromine and chlorine, can add across double bonds to break the pi-bond and form new carbon-halogen single bond. This can be used to introduce new functional groups into the molecule, which can then be further modified for various applications in organic synthesis, such as the production of pharmaceuticals or agrochemicals.This can be used for the introduction of new functional groups to the molecule. These can then be further modified in order to produce pharmaceuticals or agrochemicals.

5. Spectroscopic PropertiesSpectroscopic Properties
In its infrared (IR) spectrum, the carboxylic acid group shows a characteristic strong and broad absorption around 1700 - 1725 cm - 1 for the carbonyl (C = O) stretching vibration.The carbonyl stretching vibration (C = O), which is characteristic of the carboxylic group, can be seen in its infrared spectrum around 1700 -1725 cm -1. The O - H stretching vibration of the carboxylic acid appears as a very broad band around 2500 - 3300 cm - 1.The O -H stretching vibration of carboxylic acid is a broad band that appears around 2500 -3300 cm -1. In the nuclear magnetic resonance (NMR) spectrum, the protons on the aromatic ring (in the 2,3 - difluorophenyl group) and those near the double bond and carboxylic acid group give characteristic signals that can be used to identify the structure and purity of the compound.The protons near the double bonds and carboxylic acids in the NMR spectrum give characteristic signals which can be used to identify a compound's structure and purity. These spectroscopic properties are crucial for identifying and analyzing the compound in a laboratory setting.These spectroscopic characteristics are essential for identifying the compound and analyzing it in a lab setting.

How is (E)-3-(2,3-difluorophenyl)acrylic acid synthesized?

The synthesis of (E)-3-(2,3 - difluorophenyl)acrylic acid can be achieved through several steps. One common approach is via a Knoevenagel condensation reaction.Knoevenagel condensation is a common way to achieve this.
First, 2,3 - difluorobenzaldehyde is required as a starting material.As a first step, 2,3-difluorobenzaldehyde must be obtained. This can be obtained through various routes.This can be achieved in a variety of ways. For example, from 2,3 - difluorotoluene, it can be oxidized to the aldehyde.It can be converted to aldehyde, for example, by oxidizing 2,3-difluorotoluene. Oxidation methods could involve the use of oxidizing agents like manganese dioxide in an appropriate solvent system, such as dichloromethane.Oxidation can be achieved by using oxidizing agents such as manganese dioxide and a suitable solvent system like dichloromethane.

The other key reagent is malonic acid.The other key reagent in this reaction is malonic acid. In the presence of a base catalyst, typically a weak base like pyridine, the Knoevenagel condensation reaction takes place between 2,3 - difluorobenzaldehyde and malonic acid.In the presence a base catalyst (typically a weak base such as pyridine), the Knoevenagel reaction occurs between 2,3-difluorobenzaldehyde, and malonic acid. The base activates the malonic acid, making its acidic hydrogens more reactive.The base activates malonic acid and makes its acidic hydrogens reactive. The reaction proceeds with the elimination of a molecule of carbon dioxide.The reaction is accelerated by the elimination of one molecule of CO2. As the reaction progresses, the (E)-3-(2,3 - difluorophenyl)acrylic acid is formed. The reaction mixture usually needs to be heated to an appropriate temperature, around 80 - 100 degC, to drive the reaction forward.To drive the reaction, the reaction mixture needs to be heated up to an appropriate temperature of 80-100 degC.

After the reaction is complete, the product can be isolated.After the reaction has been completed, the product may be isolated. The reaction mixture may be cooled, and then the product can be separated from the reaction by - products and unreacted starting materials.After cooling the reaction mixture, the product can be separated by - products or unreacted starting material. This can be achieved through techniques such as extraction.This can be done using techniques like extraction. For example, the reaction mixture can be treated with an organic solvent like ethyl acetate to dissolve the product and then washed with water to remove the water - soluble by - products and base.The reaction mixture can, for example, be treated with an ethyl-acetate-based organic solvent to dissolve the product. It can then be washed in water to remove any water-soluble by-products and base. The organic layer is then dried over anhydrous sodium sulfate to remove any remaining water.The organic layer is dried over anhydrous sulfate in order to remove any remaining moisture. Finally, the solvent is removed under reduced pressure, usually using a rotary evaporator.The solvent is then removed under reduced pressure using a rotary evaporater. The resulting crude product can be further purified, for instance, by recrystallization from a suitable solvent system like ethanol - water mixture.The crude product can then be purified further, for example, by recrystallization using a suitable solvent mixture like ethanol-water. This helps to obtain pure (E)-3-(2,3 - difluorophenyl)acrylic acid with high purity.

What are the safety precautions when handling (E)-3-(2,3-difluorophenyl)acrylic acid?

When handling (E)-3-(2,3 - difluorophenyl)acrylic acid, several safety precautions should be taken.
First, personal protective equipment is crucial.Personal protective equipment is essential. Wear appropriate chemical - resistant gloves.Wear chemical-resistant gloves. Nitrile gloves are often a good choice as they can provide a barrier against potential skin contact with the acid.Nitrile gloves can be a good option as they provide a barrier to potential skin contact. Skin contact can lead to irritation, and in more severe cases, chemical burns.Contact with the skin can cause irritation and, in more serious cases, chemical burns. Also, put on safety goggles to protect the eyes.Wear safety goggles as well to protect your eyes. Even a small splash of the acid into the eyes can cause significant damage, including pain, redness, and possible long - term vision problems.Even a small splash can cause serious damage to the eyes, including pain, swelling, and long-term vision problems. A lab coat or other protective clothing should be worn to prevent the acid from coming into contact with regular clothing and the body.Wear a lab coat or other protective clothing to prevent the acid from contacting regular clothing and your body.

Second, ensure proper ventilation. Work in a well - ventilated area, preferably under a fume hood.Work in an area that is well-ventilated, preferably under the fume hood. (E)-3-(2,3 - difluorophenyl)acrylic acid may release vapors that can be irritating to the respiratory system if inhaled. Inadequate ventilation can lead to the build - up of these vapors, increasing the risk of respiratory irritation, coughing, and shortness of breath.Inadequate ventilation may lead to a build-up of these vapors. This can increase the risk of respiratory irritation and coughing.

Third, be careful during handling procedures.Third, use caution when handling the acid. When transferring the acid, use appropriate laboratory equipment.Use the appropriate laboratory equipment when transferring acid. For example, use a pipette or a burette to measure and transfer the liquid accurately, avoiding splashing.Use a pipette to accurately measure and transfer liquids, while avoiding splashing. When weighing the solid form of the acid, use a clean and dry weighing boat on an analytical balance.Use a dry and clean weighing boat to weigh the solid form of acid on an analytical scale. Make sure to handle the container carefully to prevent spills.Be careful when handling the container to avoid spills.

Fourth, know the proper storage conditions.Fourth, you should know the correct storage conditions. Store (E)-3-(2,3 - difluorophenyl)acrylic acid in a cool, dry place away from sources of heat and ignition. Keep it in a tightly - sealed container to prevent the release of vapors and to protect it from moisture, which could potentially affect its chemical properties.Keep it in an airtight container to prevent vapors from escaping and to protect the chemical properties.

Finally, in case of an accident, be prepared.Be prepared in the event of an accident. Have an emergency eyewash station and a safety shower readily available.Prepare an emergency eyewash station as well as a safety shower. If skin contact occurs, immediately rinse the affected area with plenty of water for at least 15 minutes and seek medical attention if the irritation persists.If there is skin contact, rinse the area thoroughly with water for at least fifteen minutes. Seek medical attention if irritation persists. In case of eye contact, flush the eyes with copious amounts of water for at least 15 minutes while keeping the eyelids open and then seek immediate medical help.If you have eye contact, rinse your eyes with plenty of water for 15 minutes while keeping your eyelids wide open. Seek immediate medical attention if irritation persists. If inhaled, move to fresh air immediately and seek medical advice if breathing difficulties continue.If inhaled, seek medical advice immediately if breathing problems persist.

What are the storage requirements for (E)-3-(2,3-difluorophenyl)acrylic acid?

(E)-3-(2,3-difluorophenyl)acrylic acid is a chemical compound that has specific storage requirements to maintain its integrity and safety.
Firstly, it should be stored in a cool and dry place.It should be kept in a cool, dry place. High temperatures can accelerate chemical reactions, potentially leading to decomposition or changes in the chemical structure of the compound.High temperatures can accelerate chemical reaction, which could lead to decomposition of the compound or changes in its chemical structure. A cool environment helps to slow down any thermally - induced degradation processes.Cool temperatures can help to slow down thermally-induced degradation processes. Additionally, moisture can be detrimental.Moisture can also be harmful. Water can react with the compound in some cases, either through hydrolysis or other chemical interactions.In some cases, water can react with the compound through hydrolysis or chemical interactions. For example, in the presence of water, certain functional groups in (E)-3-(2,3 - difluorophenyl)acrylic acid might undergo reactions that alter its chemical properties.

Secondly, it should be stored in a well - ventilated area.Second, it should always be stored in an area that is well-ventilated. This is important because if the compound were to release any volatile components, a well - ventilated space would prevent the build - up of potentially harmful vapors.It is important to have a well-ventilated area because if volatile components were released, it would prevent the accumulation of potentially harmful vapors. In a poorly ventilated storage area, the concentration of these vapors could reach levels that pose a risk to human health and increase the fire or explosion hazard if the vapors are flammable.In an area that is poorly ventilated, the concentration of these volatile vapors can reach levels that are hazardous to human health.

Thirdly, it should be stored away from incompatible substances.Thirdly, store it away from incompatible substances. (E)-3-(2,3 - difluorophenyl)acrylic acid may react with strong oxidizing agents, reducing agents, bases, and acids. For instance, reaction with a strong base could lead to the formation of a salt and potentially disrupt the structure of the acrylic acid moiety.As an example, a reaction with a strong acid could lead to a salt formation and disrupt the structure of acrylic acid. Similarly, contact with strong oxidizers might cause oxidation of the phenyl or acrylic acid groups, changing the chemical nature of the compound.Contact with strong oxidizers can also cause the oxidation of phenyl and acrylic acid groups. This will change the chemical nature of a compound.

Fourthly, proper containment is crucial.The fourth and most important thing is to ensure that the container is properly contained. It should be stored in suitable containers made of materials that are resistant to the chemical.It should be stored inside containers made from materials that are resistant against the chemical. Glass containers are often a good choice as they are relatively inert and can provide a good barrier against external contaminants.Glass containers are a popular choice because they are relatively inert, and can act as a barrier against external contaminants. However, if using plastic containers, it is essential to ensure that the plastic is compatible with (E)-3-(2,3 - difluorophenyl)acrylic acid and does not leach any substances into the compound or absorb components of the acid.

Finally, the storage area should be clearly labeled.The storage area should also be clearly marked. The label should indicate the identity of the compound, any relevant hazard warnings such as flammability, toxicity, or corrosivity, and emergency contact information in case of an incident.The label should include the name of the compound and any relevant hazards such as flammability or toxicity. It should also include emergency contact information. This ensures that anyone handling the storage area is aware of the potential risks associated with (E)-3-(2,3 - difluorophenyl)acrylic acid.