What is the chemical structure of 3-(2,6-Difluoro-phenyl)-acrylic acid?

3-(2,6 - Difluorophenyl)acrylic acid is an organic compound with a specific chemical structure.
Let's break down its structure description.Let's look at its structure. The "phenyl" part refers to a benzene ring, which is a six - carbon cyclic structure with alternating single and double bonds.The "phenyl part" refers to the benzene structure, which is a six-carbon cyclic structure that alternates single and double bonds. In a benzene ring, each carbon atom is bonded to three other atoms - two adjacent carbon atoms in the ring and one other atom.Each carbon atom in a benzene is bonded with three other atoms: two adjacent carbons in the ring plus one other atom.

The "2,6 - difluoro" indicates that there are fluorine atoms attached to the benzene ring at the 2 - position and 6 - position.The "2,6-difluoro" indicates there are fluorine-atoms attached to benzene rings at the 2 and 6 positions. The numbering of positions on the benzene ring starts from an arbitrarily chosen carbon atom as position 1, and then the adjacent carbon atoms are numbered sequentially around the ring.The numbering on the benzene rings starts with a randomly chosen carbon atom at position 1. Next, the carbon atoms adjacent to it are numbered in a sequential manner around the ring. Fluorine is a halogen, and when it is attached to the benzene ring, it replaces a hydrogen atom at those specific positions.When fluorine is attached to a benzene rings, it replaces hydrogen atoms at specific positions.

The "3 - ( ) - acrylic acid" part means that the entire 2,6 - difluorophenyl group is attached to the third carbon atom of the acrylic acid moiety.The "3-( )-acryl acid" part indicates that the entire 2,6-difluorophenyl moiety is attached to carbon atom number three of the acrylic acid moiety. Acrylic acid has the general formula CH2=CH - COOH.Acrylic acid is a general formula CH2=CH-COOH. It consists of a vinyl group (CH2=CH - ) and a carboxylic acid group (-COOH).It is composed of a vinyl group CH2=CH- and a carboxylic group (-COOH). The carbon - carbon double bond in the vinyl group is responsible for its unsaturated nature and can participate in various addition reactions.The double carbon-carbon bond in the vinyl group contributes to its unsaturated character and can be used in addition reactions. The carboxylic acid group (-COOH) contains a carbonyl group (C=O) and a hydroxyl group (-OH) attached to the same carbon atom.The carboxylic group (-COOH), which is a combination of a carbonyl (C=O) group and a hydroxyl (-OH) group attached to the same carbon, contains both groups. This carboxylic acid group gives the compound acidic properties, as it can donate a proton (H+) in an appropriate chemical environment.This carboxylic group gives the compound its acidic properties as it can donate an H+ proton in a suitable chemical environment.

Combining these components, in 3-(2,6 - Difluorophenyl)acrylic acid, the 2,6 - difluorophenyl group is connected to the carbon atom of the vinyl group that is not part of the double - bonded carbon - carbon pair in acrylic acid. So the overall structure combines the aromatic nature of the difluorophenyl ring, the unsaturated nature of the carbon - carbon double bond in the acrylic acid part, and the acidic functionality of the carboxylic acid group.The overall structure combines aromaticity of the difluorophenyl group, unsaturated nature in the carbon-carbon double bond of the acrylic acid part and acidic functionality from the carboxylic acids. This combination of structural features gives 3-(2,6 - Difluorophenyl)acrylic acid unique chemical and physical properties that can be exploited in various chemical reactions and applications, such as in the synthesis of more complex organic molecules for pharmaceutical or material science purposes.

What are the main applications of 3-(2,6-Difluoro-phenyl)-acrylic acid?

3-(2,6 - Difluorophenyl)acrylic acid has several main applications.
In the field of pharmaceuticals, it serves as a crucial intermediate.It is a vital intermediate in the pharmaceutical industry. The unique structure of this compound, with the 2,6 - difluorophenyl group and the acrylic acid moiety, can participate in various chemical reactions to form more complex drug molecules.This unique compound with its 2,6-difluorophenyl moiety and 2,6-difluorophenyl ring can be used in a variety of chemical reactions to create more complex drug molecules. It may be involved in the synthesis of drugs targeting specific biological pathways.It can be used in the synthesis and targeting of specific biological pathways. For example, some drugs designed to interact with certain receptors in the human body require the presence of such a structure as a starting point for building the overall molecular framework.As an example, certain drugs that target specific receptors in the body require a structure like this as a starting place for the construction of the overall molecular frame. This intermediate can contribute to the development of medications for treating diseases like inflammation.This intermediate can be used to develop medications that treat diseases such as inflammation. The fluorine atoms in the molecule can enhance lipophilicity, which may improve the drug's ability to penetrate cell membranes and reach its target site within the body more effectively.The fluorine in the molecule may enhance lipophilicity. This could improve the drug's penetration of cell membranes to reach its target within the body.

In the area of agrochemicals, 3-(2,6 - Difluorophenyl)acrylic acid is also of significance. It can be used in the synthesis of pesticides or fungicides.It can be used to synthesize pesticides or other fungicides. The specific structure can endow the resulting agrochemical products with good bioactivity against pests or fungi.The specific structure of the agrochemical product can give it a high bioactivity against pests and fungi. The fluorine - containing moiety can enhance the compound's stability in the environment, allowing it to maintain its effectiveness over a longer period.The fluorine-containing moiety can increase the stability of the compound in the environment and allow it to maintain its efficacy for a longer time. This helps in protecting crops from various diseases and pest infestations.This helps protect crops from pests and diseases. It may act by interfering with the normal physiological functions of pests or fungi, for instance, disrupting their metabolic pathways or inhibiting the formation of cell walls in fungi.It may interfere with the normal physiological functions in pests or fungi. For example, it may disrupt their metabolic pathways or prevent the formation of cell wall in fungi.

Moreover, in the research of organic materials, this compound can be utilized.This compound can also be used in the research on organic materials. It can participate in polymerization reactions to form polymers with special properties.It can be used in polymerization reactions that produce polymers with specific properties. The fluorine - containing side chains can influence the physical and chemical properties of the polymers, such as their solubility, thermal stability, and optical properties.The side chains containing fluorine can influence the physical properties and chemical properties of polymers such as their solubility and thermal stability. These polymers may find applications in areas like coatings.These polymers can be used in coatings. The coatings made from polymers containing 3-(2,6 - Difluorophenyl)acrylic acid units can have enhanced resistance to chemicals, abrasion, and weathering due to the unique characteristics imparted by the fluorine - containing moiety. Additionally, in the development of liquid crystal materials, the compound's structure can potentially contribute to the formation of liquid crystal phases with specific alignment and optical properties, which are important for applications in display technologies.The compound's structure could also contribute to the formation liquid crystal phases that have specific alignment and optical characteristics, which are important in display technologies.

What are the physical and chemical properties of 3-(2,6-Difluoro-phenyl)-acrylic acid?

3-(2,6 - Difluorophenyl)acrylic acid is an organic compound with specific physical and chemical properties.
Physical properties:Physical Properties
Appearance: It usually exists as a solid.Appearance: It is usually a solid. The exact color can range from white to off - white, depending on its purity.The color can vary from off-white to white depending on the purity. The solid form allows for relatively easy handling and storage in appropriate containers.The solid form makes it relatively easy to handle and store in appropriate containers.
Melting point: The melting point is an important physical characteristic.Melting point is a very important physical characteristic. Precise determination of the melting point can help in identifying the compound and assessing its purity.The melting point can be used to identify the compound and assess its purity. For 3-(2,6 - Difluorophenyl)acrylic acid, the melting point is within a certain temperature range. Deviations from the expected melting point may indicate the presence of impurities.If the melting point is different from what you expect, it could be due to impurities.
Solubility: In terms of solubility, it shows limited solubility in water.Solubility: It shows limited solubility when it comes to water. This is because the compound contains a relatively large non - polar aromatic ring with fluorine substituents, which reduces its affinity for the polar water molecules.This is due to the fact that the compound contains a relatively big non-polar aromatic ring, with fluorine substitutes. This reduces its affinity towards the polar water molecules. However, it is more soluble in organic solvents such as ethanol, methanol, dichloromethane, and ethyl acetate.It is more soluble in organic solvants such as ethanol and methanol. The solubility in these organic solvents is useful for various chemical processes, like its extraction from reaction mixtures or its use in solution - based reactions.This solubility is useful in various chemical processes such as its extraction from reaction mixes or its use in solutions-based reactions.

Chemical properties:Chemical properties
Acidity: As an acrylic acid derivative, it contains a carboxylic acid functional group.Acidity: It is an acrylic acid derivative that contains a carboxylic group. This group imparts acidic properties to the compound.This group gives the compound acidic properties. It can donate a proton in the presence of a base, forming a carboxylate anion.It can donate a protons in the presence a base to form a carboxylate anion. The acidity constant (pKa) of 3-(2,6 - Difluorophenyl)acrylic acid is related to the stability of the resulting carboxylate anion. The electron - withdrawing effect of the 2,6 - difluorophenyl group can influence the acidity.The 2,6 – difluorophenyl groups electron-withdrawing effect can influence acidity. The fluorine atoms, being highly electronegative, can stabilize the negative charge on the carboxylate anion through inductive effects, making the compound more acidic compared to some related acrylic acid derivatives without such electron - withdrawing groups.Fluorine atoms are highly electronegative and can stabilize the negative charge of the carboxylate anion by inductive effects. This makes the compound more acidic than some similar acrylic acid derivatives that do not have such electron-withdrawing groups.
Reactivity of the double bond: The compound also has a carbon - carbon double bond in the acrylic acid part.Reactivity of the double bonds: The compound has a double carbon-carbon bond in the acrylic acids part. This double bond is reactive towards electrophilic addition reactions.This double bond is reactive to electrophilic additions. For example, it can react with halogens (such as bromine or chlorine) to form addition products.It can, for example, react with halogens such as bromine or chloride to form addition products. The double bond can also participate in polymerization reactions under appropriate conditions, either alone or in combination with other monomers.Under the right conditions, the double bond can participate in polymerizations either alone or with other monomers. Radical - initiated polymerization can lead to the formation of polymers containing the 3-(2,6 - Difluorophenyl)acrylic acid units, which may have unique properties due to the presence of the fluorinated phenyl group.
Reactions of the aromatic ring: The 2,6 - difluorophenyl ring can undergo typical aromatic substitution reactions.The 2,6-difluorophenyl rings can undergo typical aromatic substitution reaction. For instance, it can react with electrophiles in electrophilic aromatic substitution reactions.It can, for example, react with electrophiles during electrophilic aromatic substitute reactions. The fluorine atoms on the ring can direct the incoming electrophile to specific positions on the aromatic ring, based on their inductive and resonance effects.Fluorine atoms in the ring can direct an incoming electrophile towards specific positions within the aromatic ring based on their resonance and inductive effects. Nucleophilic aromatic substitution reactions can also occur under certain conditions, especially if the reaction conditions are carefully tuned to activate the aromatic ring towards nucleophilic attack.Under certain conditions, nucleophilic aromatic substitute reactions can also take place. This is especially true if the reaction conditions have been carefully tuned to activate aromatic rings towards nucleophilic attacks.

How is 3-(2,6-Difluoro-phenyl)-acrylic acid synthesized?

3 - (2,6 - Difluorophenyl)acrylic acid can be synthesized through several methods. One common approach is via a Knoevenagel condensation reaction.Knoevenagel condensation is a common way to synthesize 3 - (2,6 - Difluorophenyl)acrylic acid.
First, 2,6 - difluorobenzaldehyde is used as a starting material.As a first step, 2,6-difluorobenzaldehyde will be used. This aldehyde is reacted with a compound containing an active methylene group.This aldehyde reacts with a compound that contains an active methylene. Malonic acid is a suitable choice.The malonic acid is an appropriate choice. In the presence of a base catalyst, such as piperidine or pyridine, the reaction proceeds.The reaction proceeds in the presence of a catalyst such as pyridine or piperidine. The base first deprotonates the active methylene group of malonic acid, generating a carbanion.The base deprotonates first the active methylene of malonic acid to produce a carbanion. This carbanion then attacks the carbonyl carbon of 2,6 - difluorobenzaldehyde. After the nucleophilic addition, a series of proton transfers and elimination steps occur.After the nucleophilic additon, a series proton transfers and elution steps occur. The elimination of carbon dioxide from the intermediate formed from the reaction of the aldehyde and malonic acid derivative leads to the formation of 3 - (2,6 - Difluorophenyl)acrylic acid.

Another possible synthetic route could involve the reaction of 2,6 - difluorophenylacetonitrile with an appropriate reagent to introduce the double bond and convert the nitrile group to a carboxylic acid. For example, first, the nitrile can be hydrolyzed to the corresponding carboxylic acid using an acid or base - catalyzed hydrolysis.First, the nitrile is hydrolyzed into the carboxylic acid by using an acid- or base-catalyzed hydrolysis. Then, an elimination reaction can be carried out to form the double bond.The double bond can then be formed by an elimination reaction. This might require specific reaction conditions and reagents to control the position and stereochemistry of the double bond formation.This may require specific conditions and reagents in order to control the stereochemistry and position of the double bond.

The reaction conditions for these syntheses need to be carefully optimized.It is important to optimize the reaction conditions for these syntheses. Factors such as reaction temperature, reaction time, and the ratio of reactants play crucial roles.The reaction temperature, the reaction time and the ratio between reactants are all important factors. For the Knoevenagel condensation, the reaction is often carried out at a moderately elevated temperature, typically around 80 - 120 degrees Celsius, depending on the solvent and catalyst used.The reaction for the Knoevenagel condensate is usually carried out at a moderately high temperature, around 80-120 degrees Celsius depending on the catalyst and solvent used. The choice of solvent also affects the reaction.The choice of solvent can also influence the reaction. Polar solvents like ethanol or DMF can enhance the solubility of the reactants and facilitate the reaction.Polar solvents such as ethanol or DMF increase the solubility and speed up the reaction. After the reaction is complete, the product can be isolated through techniques such as extraction, crystallization, or column chromatography to obtain pure 3 - (2,6 - Difluorophenyl)acrylic acid.

What are the safety hazards and precautions when handling 3-(2,6-Difluoro-phenyl)-acrylic acid?

Safety hazards when handling 3-(2,6 - Difluoro - phenyl) - acrylic acid:Safety hazards when handling 3-(2,6-Difluoro-phenyl - acrylic acid):
Health hazards: It may cause skin irritation.Health Hazards: It can cause skin irritation. Contact with the skin can lead to redness, itching, and potentially more severe reactions like dermatitis if the exposure is prolonged or in high concentrations.Contact with the skin may cause redness, itchiness, and more severe reactions such as dermatitis, if the exposure to the substance is prolonged or high in concentration. Inhalation of its dust or vapors can irritate the respiratory tract, causing coughing, shortness of breath, and possible damage to the lungs over time.Inhalation can cause irritation of the respiratory tract causing coughing and shortness of breathe. Over time, it may also damage the lungs. It might also be harmful if it comes into contact with the eyes, resulting in eye irritation, pain, and potential damage to the cornea.It can also cause irritation and pain to the eyes if it comes in contact with them.

Environmental hazards: If released into the environment, 3-(2,6 - Difluoro - phenyl) - acrylic acid could potentially have an impact on aquatic life.Environmental hazards: If released in the environment, 3-(2,6-Difluoro-phenyl-acryl acid) could potentially impact aquatic life. It may be toxic to fish, invertebrates, and other organisms in water bodies.It could be toxic to fish and other organisms living in water bodies. Additionally, it could potentially contaminate soil, affecting plant growth and the overall soil ecosystem.It could also contaminate the soil, affecting the growth of plants and the soil ecosystem.

Precautions when handling:Take care when handling:

Personal protective equipment: Always wear appropriate personal protective equipment.Wear the appropriate personal protective equipment. This includes chemical - resistant gloves, such as nitrile gloves, to protect the hands from skin contact.Chemical-resistant gloves, such nitrile, are recommended to protect hands from skin contact. Safety goggles or a face shield should be worn to prevent any splashes or dust from getting into the eyes.Wear safety goggles or face shields to prevent dust or splashes from entering the eyes. A lab coat or other protective clothing should be used to cover the body and prevent the chemical from coming into contact with the skin.Wearing a lab coat or other protective clothing will prevent the chemical from touching the skin.

Ventilation: Work in a well - ventilated area, preferably in a fume hood if possible.Ventilation: If possible, work in an area that is well-ventilated. Good ventilation helps to reduce the concentration of any vapors or dust in the air, minimizing the risk of inhalation.Good ventilation reduces the concentration of dust or vapors in the air and minimizes the risk of inhalation.

Handling procedures: When transferring the chemical, use proper techniques to avoid spills.Handling procedures: Use the correct techniques when transferring the chemical to avoid spills. For example, use a funnel when pouring it into containers to prevent splashing.Use a funnel to pour the chemical into containers. This will prevent splashing. Avoid generating dust by gently handling solid forms of the chemical.Handle solid forms of chemicals gently to avoid generating dust. If weighing the chemical, do it carefully to prevent any powder from spreading in the air.When weighing the chemical, be careful to avoid any powder spreading into the air.

Storage: Store 3-(2,6 - Difluoro - phenyl) - acrylic acid in a cool, dry place away from sources of heat and ignition.Storage: Store 3-(2,6-Difluoro-phenyl)-acrylic acid in a dry, cool place away from heat sources and ignition. Keep it in a tightly sealed container to prevent evaporation and leakage.Keep it in a tightly-sealed container to prevent evaporation. Label the container clearly with the chemical name, hazard warnings, and any other relevant information.Label the container with the chemical name and any warnings or other pertinent information.

Emergency response: In case of skin contact, immediately wash the affected area with plenty of water for at least 15 minutes and seek medical attention if irritation persists.Emergency response: If skin contact occurs, wash the affected area immediately with plenty of water and continue to do so for at least 15 minute. Seek medical attention if irritation continues. If it gets into the eyes, flush the eyes with copious amounts of water for at least 15 minutes and consult an eye doctor.If it gets in the eyes, flush them with plenty of water for 15 minutes at least and consult an eye specialist. In case of inhalation, move to fresh air immediately and seek medical help if breathing difficulties occur.In the event of inhalation, seek medical attention if you experience breathing difficulties. In the event of a spill, contain the spill using absorbent materials like sand or vermiculite, and then dispose of the contaminated materials properly according to local regulations.If there is a spillage, use absorbent materials such as sand or Vermiculite to contain it. Then dispose of the contaminated material according to local regulations.