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Product Name | 3-(4-Fluorophenyl)-2-methylacrylic acid |
Cas Number | 255836-83-0 |
Formula | C10H9FO2 |
Molar Mass | 180.18 g/mol |
Density | 1.243 g/cm3 |
Melting Point | 142-144 °C |
Boiling Point | 308 °C at 760 mmHg |
Flash Point | 140.3 °C |
Refractive Index | 1.543 |
Solubility | slightly soluble in water |
Appearance | white crystalline powder |
Pka | 4.31 |
Smiles | CC(=C(C1=CC=C(C=C1)F)C(=O)O)C |
What are the main applications of 3-(4-Fluorophenyl)-2-methylacrylic acid?
3-(4-Fluorophenyl)-2-methylacrylic acid has several important applications.
One of its significant uses is in the field of materials science.Materials science is one of its most important uses. It can be used as a monomer in the synthesis of polymers.It can be used in the synthesis polymers as a monomer. The unique structure of this acid, with the fluorophenyl group and the methyl - substituted acrylic acid moiety, imparts special properties to the resulting polymers.The unique structure of the acid, with its fluorophenyl moiety and methyl-substituted acrylic acid moiety, confers special properties to polymers. The fluorine atom in the 4 - fluorophenyl group can enhance properties such as chemical resistance, hydrophobicity, and thermal stability.The fluorine in the 4-fluorophenyl can enhance properties like chemical resistance, hydrophobicity and thermal stability. For example, polymers made from this monomer can be used in coatings.Polymers made from the monomer can, for example, be used as coatings. These coatings are able to withstand harsh chemical environments, which is useful in industries like automotive, where the exterior coatings need to resist chemicals from road salts, acids in rain, and other environmental pollutants.These coatings can withstand harsh chemical environments. This is useful for industries such as automotive, where exterior coatings must resist chemicals from road sals, acids in the rain, and other pollutants. In addition, the hydrophobic nature of the polymers can prevent water absorption, thus protecting the underlying substrates from corrosion and degradation.The hydrophobic polymers also prevent water absorption and protect the substrates beneath from corrosion.
In the pharmaceutical industry, 3-(4 - Fluorophenyl)-2 - methylacrylic acid can serve as an important building block for the synthesis of various bioactive compounds.In the pharmaceutical industry 3-(4-fluorophenyl-2-methylacrylic) acid can be used as a building block to synthesize various bioactive compounds. The acid functionality can be easily modified through chemical reactions to introduce other functional groups that are crucial for drug - receptor interactions.Chemical reactions can easily modify the acid functionality to introduce functional groups that are critical for drug-receptor interactions. The fluorophenyl group can also play a role in enhancing the lipophilicity of the final drug molecule, which may improve its permeability across cell membranes.The fluorophenyl groups can also be used to enhance the lipophilicity and permeability of the final drug molecules. This is important for drugs that need to enter cells to exert their therapeutic effects.This is especially important for drugs which need to enter the cells in order to exert their therapeutic effect. For instance, it can be incorporated into the structure of drugs targeting certain enzymes or receptors in the body, helping to fine - tune the drug's binding affinity and selectivity.It can be incorporated in the structure of drugs that target certain enzymes or body receptors, allowing them to fine-tune their binding affinity and selectivity.
Moreover, in the area of organic synthesis, it is a valuable intermediate.It is also a valuable chemical intermediate in organic synthesis. Its double bond and carboxylic acid group are highly reactive, allowing for a wide range of chemical transformations.Its double-bond and carboxylic group are highly reactive allowing a wide range if chemical transformations. It can participate in reactions such as esterification, where it can be converted into esters.It can be converted to esters through esterification. These esters can then be further utilized in the preparation of more complex organic molecules.These esters can be used to prepare more complex organic molecules. Additionally, the double bond can undergo polymerization reactions as mentioned before, or it can react with other unsaturated compounds in cycloaddition reactions, leading to the formation of cyclic structures with unique properties and potential applications in different fields such as materials and pharmaceuticals.The double bond can also undergo polymerization reactions, as previously mentioned, or it may react with other unsaturated molecules in cycloaddition reaction, leading to cyclic structures that have unique properties. These structures can be used in various fields, such as materials and pharmaceuticals. Overall, 3-(4 - Fluorophenyl)-2 - methylacrylic acid is a versatile compound with a wide range of applications across multiple industries.Overall, 3-(4-fluorophenyl-2-methylacrylic acid) is a versatile chemical with many applications in multiple industries.
What are the physical and chemical properties of 3-(4-Fluorophenyl)-2-methylacrylic acid?
3-(4-Fluorophenyl)-2-methylacrylic acid is an organic compound with the following physical and chemical properties:
Physical properties
Appearance: It is likely to exist as a solid under normal conditions.Appearance: Under normal conditions, it is likely to be a solid. Many organic acids with similar structures are solids due to the presence of intermolecular forces such as hydrogen bonding.Due to intermolecular forces, such as hydrogen bonds, many organic acids with similar structure are solids. The solid may have a white or off - white color, which is common for many aromatic - containing organic compounds.The solid can be white or off-white in color. This is common for many organic compounds that contain aromatic compounds.
Melting point: The melting point is an important physical property.Melting point: The melting temperature is an important property. The presence of the fluorophenyl group and the carboxylic acid functionality affects the packing of molecules in the solid state.The presence of carboxylic acid and the fluorophenyl groups affects the packing molecules in the solid state. The melting point is determined by the balance of intermolecular forces.The melting point is determined based on the balance of intermolecular force. The fluorine atom in the 4 - fluorophenyl group can participate in weak intermolecular interactions, while the carboxylic acid group can form strong hydrogen bonds.The fluorine in the 4-fluorophenyl can participate in weak interactions between molecules, while the carboxylic group can form strong hydrogen bonding. Typically, the melting point might be in the range where the energy input is sufficient to disrupt the ordered arrangement of molecules in the solid lattice.The melting point is usually in the range of energy input that is sufficient to disrupt the orderly arrangement of molecules within the solid lattice.
Solubility: In terms of solubility, it shows some solubility in polar organic solvents.It shows some solubility with polar organic solvents. The carboxylic acid group can form hydrogen bonds with polar solvents such as alcohols (e.g., methanol, ethanol) and ketones (e.g., acetone).The carboxylic group can form hydrogen bond with polar solvents like alcohols (e.g. methanol,ethanol) and ketones(e.g. acetone). However, its solubility in non - polar solvents like hexane is likely to be very low.Its solubility in non-polar solvents such as hexane will likely be very low. This is because the non - polar part of the molecule, the fluorophenyl and methyl groups, has little affinity for non - polar solvents, while the polar carboxylic acid group dominates the solubility behavior in polar solvents.This is because the non-polar part of a molecule, the fluorophenyl or methyl groups have little affinity for non-polar solvents. The polar carboxylic group dominates solubility in polar solutions.
Chemical properties
Acidity: As an acrylic acid derivative with a carboxylic acid functional group, it exhibits acidic properties.Acidity: It is an acrylic acid derivative that has a carboxylic functional group. The carboxylic acid group can donate a proton in the presence of a base.The carboxylic group can donate a proton in the presence a base. The pKa value of the carboxylic acid group is influenced by the adjacent groups.The adjacent groups influence the pKa of the carboxylic group. The fluorophenyl group can have an inductive effect.The fluorophenyl ring can have an inductive reaction. The electron - withdrawing fluorine atom in the phenyl ring stabilizes the carboxylate anion formed after deprotonation, making the acid more acidic compared to a simple alkyl - substituted acrylic acid.The electron-withdrawing fluorine in the phenyl group stabilizes the carboxylate anions formed after deprotonation. This makes the acid more acidic than a simple alkyl-substituted acrylic acid.
Reactivity of the double bond: The compound contains a carbon - carbon double bond characteristic of acrylic acid derivatives.Reactivity of double bond: The compound has a double bond of carbon-carbon, which is characteristic of acrylic acids. This double bond is reactive towards electrophilic addition reactions.This double bond is reactive to electrophilic additions. For example, it can react with bromine in an electrophilic addition reaction to form a dibromo - substituted product.It can, for example, react with bromine during an electrophilic reaction to form dibromo-substituted products. The double bond can also participate in polymerization reactions.Double bonds can also be involved in polymerization reactions. Radical polymerization can occur in the presence of appropriate initiators, leading to the formation of polymers.In the presence of the right initiators, radical polymerization can take place. This leads to the formation polymers. These polymers can have various applications in the fields of coatings, adhesives, etc.These polymers have many applications in the fields such as coatings, adhesives etc. due to the properties imparted by the fluorophenyl and carboxylic acid groups in the monomer unit.The monomer unit is characterized by fluorophenyl groups and carboxylic acids.
Reactivity of the carboxylic acid group: The carboxylic acid group can undergo typical reactions of carboxylic acids.Reactivity of the carboxylic group: The carboxylic group can undergo typical carboxylic reactions. It can react with alcohols in the presence of an acid catalyst to form esters through an esterification reaction.It can react with alcohols, in the presence an acid catalyst, to form esters by an esterification process. This reaction is important for the synthesis of derivatives with different physical and chemical properties.This reaction is crucial for the synthesis and characterization of derivatives that have different physical and chemcial properties. Additionally, it can react with amines to form amides, which is useful in the synthesis of various organic compounds and in the production of materials with specific functional groups.It can also react with amines to produce amides. This is useful for the synthesis and production of organic compounds with specific functional groups.
How is 3-(4-Fluorophenyl)-2-methylacrylic acid synthesized?
3-(4-Fluorophenyl)-2-methylacrylic acid can be synthesized through several methods. One common approach involves a series of chemical reactions starting from appropriate starting materials.One common method involves a series chemical reactions that begin with appropriate starting materials.
A possible synthesis route could begin with 4 - fluorobenzaldehyde.A possible route to synthesis could begin with 4-fluorobenzaldehyde. First, it can react with acetone in the presence of a base, such as sodium hydroxide or potassium hydroxide, in an aldol condensation reaction.It can first react with acetone, in the presence a base such as sodium or potassium hydroxide in an aldol reaction. This reaction combines the carbonyl group of the aldehyde with the enolate formed from the acetone.This reaction combines acetone and the enolate to form the carbonyl group in the aldehyde. The base helps in the formation of the enolate ion from acetone, which then attacks the carbonyl carbon of 4 - fluorobenzaldehyde.The base is used to help form the enolate from acetone. This ion attacks the carbonyl group of 4 -fluorobenzaldehyde. This results in the formation of an aldol intermediate, 4 - (4 - fluorophenyl)-3 - methylbut - 3 - en - 2 - one.This leads to the formation of a methylaldol intermediate: 4 (4 fluorophenyl )-3 methylbut – 3 – en – 2 - 1.
Next, this intermediate is subjected to a reaction to convert the ketone group to a carboxylic acid.The ketone group is then converted to a carboxylic acids by a reaction. One way to achieve this is through an oxidation reaction.This can be achieved by an oxidation. For example, using an oxidizing agent like potassium permanganate or chromic acid under appropriate reaction conditions.Use an oxidizing agent such as potassium permanganate, or chromic acids under the right reaction conditions. The oxidation of the ketone group in 4 - (4 - fluorophenyl)-3 - methylbut - 3 - en - 2 - one leads to the formation of 3-(4 - fluorophenyl)-2 - methylacrylic acid.The oxidation reaction of the ketone in 4 (4 fluorophenyl ) 3 methylbut en en en en en en en en en en en 2 -1 leads to 3-(4 – fluorophenyl )-2 – methylacrylic Acid.
Another potential synthesis method could involve the use of Grignard reagents.Grignard reagents could be used as a potential alternative synthesis method. Starting from 4 - fluorobromobenzene, it can be reacted with magnesium in an ether solvent to form the Grignard reagent, 4 - fluorophenylmagnesium bromide. This Grignard reagent can then react with a suitable a - methyl - acrylic acid derivative, such as methyl 2 - methylacrylate.This Grignard Reagent can be used to react with a -methyl -acrylic acid derivatives, such as methyl 2-methylacrylate. The reaction between the Grignard reagent and the ester derivative would result in the addition of the 4 - fluorophenyl group to the carbon - carbon double bond of the acrylic acid derivative.The reaction between Grignard reagents and ester derivatives would result in an addition of the 4-fluorophenyl groups to the double carbon bond of the acrylic acids derivative. Subsequent hydrolysis of the ester group using an acid or a base would yield 3-(4 - fluorophenyl)-2 - methylacrylic acid.The ester group can be hydrolyzed with an acid or base to yield 3-(4-fluorophenyl-2)-methylacrylic acid.
In any synthesis, careful control of reaction conditions such as temperature, reaction time, and stoichiometry of reactants is crucial to obtain high yields and pure products.To obtain high yields and pure product, it is important to control the reaction conditions, such as temperature, time of reaction, and stoichiometry. Also, proper purification techniques like recrystallization or column chromatography may be required to isolate the final product in its pure form.Purification techniques such as recrystallization and column chromatography can be used to isolate the product in its purest form.
What are the safety precautions when handling 3-(4-Fluorophenyl)-2-methylacrylic acid?
When handling 3-(4 - Fluorophenyl)-2 - methylacrylic acid, several safety precautions should be taken.Safety precautions are necessary when handling 3-(4-Fluorophenyl-2-methylacrylic acid).
First, personal protective equipment is essential.Personal protective equipment is a must. Wear appropriate chemical - resistant gloves.Wear gloves that are resistant to chemicals. Nitrile gloves are often a good choice as they can provide a certain level of protection against the potential skin contact with this chemical.Nitrile gloves can offer a level of protection from skin contact. This helps prevent skin irritation, which could occur if the acid comes into direct contact with the skin.This can help prevent skin irritation that could occur if acid is in direct contact with your skin.
Eye protection is also crucial.Eye protection is equally important. Safety goggles should be worn at all times when handling the substance.Safety goggles must be worn at any time when handling the substance. In case of any splashing, the goggles can safeguard the eyes from potential harm.The goggles will protect the eyes in case of splashing. Contact with the eyes can lead to serious irritation, redness, and in severe cases, damage to the cornea.Contact with the eye can cause irritation, redness and, in severe cases of corneal damage.
Clothing protection is another aspect.Clothing protection is also important. Wear a laboratory coat or other protective clothing that covers the body.Wear a lab coat or other protective clothing covering the entire body. This can prevent the acid from coming into contact with regular clothing, reducing the risk of skin exposure through permeation.This will prevent the acid from contacting regular clothing and reduce the risk of skin permeation.
Second, proper ventilation is necessary.Second, it is important to have proper ventilation. Handle 3-(4 - Fluorophenyl)-2 - methylacrylic acid in a well - ventilated area, preferably under a fume hood.Handle 3-(4-fluorophenyl-2)-2-methylacrylic acid under a fume-hood or in an area that is well-ventilated. This chemical may emit fumes, and inhaling these fumes can cause respiratory problems such as coughing, shortness of breath, or irritation of the nasal passages and throat.Inhaling fumes from this chemical can cause respiratory problems, such as coughing or shortness of breathe, or irritation to the nasal passages and throat. A fume hood effectively captures and exhausts these fumes, minimizing the inhalation risk.A fume hood captures and exhausts the fumes effectively, minimizing inhalation risks.
Third, be cautious during handling operations.Third, be careful when handling the acid. When transferring the acid, use appropriate equipment such as pipettes or funnels to avoid spills.Use pipettes or funnels when transferring the acid to prevent spills. If a spill occurs, immediately take appropriate clean - up measures.Take immediate action to clean up any spills. First, evacuate the area to prevent other people from being exposed.First, evacuate the affected area to avoid exposing others. Then, use absorbent materials like spill pillows or activated charcoal to soak up the spilled acid.Use absorbent materials such as activated charcoal or spill pillows to soak up the acid. Dispose of the contaminated absorbent materials according to local hazardous waste disposal regulations.Dispose the contaminated absorbent material according to local hazardous waste disposal laws.
Fourth, storage is important.Storage is also important. Store 3-(4 - Fluorophenyl)-2 - methylacrylic acid in a cool, dry place, away from heat sources and incompatible substances.Store 3-(4-fluorophenyl-2-methylacrylic acid) in a cool and dry place away from heat sources or incompatible substances. Keep it in a tightly - sealed container to prevent evaporation and potential leakage.Keep it in a tightly-sealed container to prevent evaporation or leakage. Label the container clearly with the chemical name, hazard warnings, and other relevant information for easy identification and to ensure proper handling by all who may come in contact with it.Label the container with the chemical name and any hazard warnings. This will make it easier to identify and ensure that all those who come into contact with the product are properly trained.
Finally, be aware of first - aid procedures.Be familiar with first-aid procedures. In case of skin contact, immediately wash the affected area with plenty of water for at least 15 minutes and remove any contaminated clothing.In the event of skin contact, wash the affected area immediately with plenty of water and remove any contaminated clothes. If eye contact occurs, flush the eyes with copious amounts of water for at least 15 minutes and seek medical attention promptly.If eye contact occurs immediately flush the eyes for at least 15 minute with plenty of water and seek medical attention. In case of inhalation, move to fresh air immediately and seek medical help if symptoms persist.In the event of inhalation, seek medical attention if symptoms persist.
What is the stability and shelf life of 3-(4-Fluorophenyl)-2-methylacrylic acid?
3-(4-Fluorophenyl)-2-methylacrylic acid is an organic compound.
The stability of 3-(4 - Fluorophenyl)-2 - methylacrylic acid is influenced by several factors.The stability of 3-(4-fluorophenyl-2-methylacrylic acid) is affected by several factors. Chemically, it contains a double bond in the acrylic acid moiety.It contains a double-bond in the acrylic acid moiety. This double bond can potentially undergo reactions such as addition reactions with electrophiles or radical - initiated polymerization under certain conditions.Under certain conditions, this double bond may undergo reactions like addition reactions with electronphiles or radical-induced polymerization. In the presence of strong oxidizing agents, the double bond can be oxidized, leading to the formation of various oxidation products.The double bond can be oxidized in the presence of strong oxidizing substances, resulting in the formation of a variety of oxidation products. However, in a relatively pure state and under normal storage conditions away from reactive substances, it can maintain its chemical structure to a certain extent.In a relatively pure form and under normal conditions of storage away from reactive substances it can maintain a certain chemical structure.
Regarding its physical stability, it should be stored in a dry environment.It should be stored in an environment that is dry. Exposure to moisture can potentially cause hydrolysis of the acid group in some cases, although the carboxylic acid group in this compound is relatively stable.In some cases, exposure to moisture may cause hydrolysis of this compound's carboxylic acid groups. But high humidity over a long period may still have an impact on its quality.High humidity for a long time can still affect its quality.
The shelf - life of 3-(4 - Fluorophenyl)-2 - methylacrylic acid depends on the storage conditions.The storage conditions will determine the shelf-life of 3-(4-fluorophenyl-2-methylacrylic acid. If stored at room temperature in a sealed container away from light, air, and moisture, it can have a shelf - life of several months to about a year.It can have a shelf life of up to a year if stored at room temperature, in a sealed container, away from light, moisture, and air. In a refrigerated environment (around 2 - 8 degC), the shelf - life can be extended.Shelf-life can be increased in a refrigerator (between 2 and 8 degC). Under these cooler conditions, the kinetic energy of the molecules is reduced, which slows down any potential chemical reactions such as oxidation or polymerization.In cooler conditions, the kinetic energies of the molecules are reduced, which slows any potential chemical reactions, such as oxidation and polymerization.
If proper storage is not ensured, for example, if it is exposed to elevated temperatures, the rate of degradation reactions will increase significantly.If the product is not stored properly, or is exposed to high temperatures, then the rate of degradation will increase. High temperatures can accelerate the polymerization of the double bond or other decomposition reactions.High temperatures can accelerate polymerization or other decomposition processes. Also, if it is in contact with metal containers that can potentially catalyze certain reactions, the shelf - life will be shortened.The shelf-life will also be reduced if the acid is in contact with metals that could potentially catalyze reactions. In general, to ensure the longest possible shelf - life, it is advisable to store 3-(4 - Fluorophenyl)-2 - methylacrylic acid in a cool, dry, and dark place, preferably in an inert atmosphere to minimize oxidation.To ensure the longest shelf-life possible, it is best to store 3-(4-fluorophenyl-2-methylacrylic) acid in a dark, cool and dry place.