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Product Name | 2-Benzylacrylic acid |
Cas Number | 614-19-7 |
Formula | C10H10O2 |
Molar Mass | 162.19 g/mol |
Density | 1.11 g/cm³ |
Melting Point | 71-73 °C |
Boiling Point | 293 °C |
Appearance | White to off-white powder |
Solubility | Slightly soluble in water |
Refractive Index | 1.570 |
Flash Point | 138 °C |
Pka | 4.63 |
Logp | 2.52 |
Stability | Stable under recommended storage conditions |
What is the chemical structure of 2-Benzylacrylic acid?
2 - Benzylacrylic acid is an organic compound with a specific chemical structure.2 - Benzylacrylic Acid is an organic compound that has a specific chemistry.
The structure is based on an acrylic acid backbone.The structure is built on an acrylic acid backbone. Acrylic acid has the formula CH2=CH - COOH, where there is a double bond between two carbon atoms (the vinyl group, -CH=CH2) attached to a carboxyl group (-COOH).Acrylic acid is represented by the formula CH2=CH-COOH, which has a double bond (the vinyl group -CH=CH2) between two carbon atoms attached to a carboxyl (-COOH) group.
In 2 - Benzylacrylic acid, a benzyl group is attached to the second carbon atom of the acrylic acid structure.In 2 Benzylacrylic Acid, a benzyl atom is attached to second carbon atom in the acrylic acid structure. The benzyl group has the formula C6H5CH2-.The benzyl is C6H5CH2-. So, in 2 - Benzylacrylic acid, the benzyl group replaces one of the hydrogen atoms on the carbon adjacent to the carboxyl - bearing carbon in the acrylic acid.In 2 - Benzylacrylic Acid, the benzyl groups replace one of the hydrogen atoms adjacent to the carboxyl – bearing carbon in the Acrylic acid.
The overall formula of 2 - Benzylacrylic acid can be written as C6H5CH2CH = CHCOOH.The overall formula for 2 - Benzylacrylic Acid can be written C6H5CH2CH= CHCOOH. In terms of the atoms and their connections, the six - membered benzene ring of the benzyl group is attached to a methylene group (-CH2-).The six-membered benzene group of the benzyl is attached to the methylene group (CH2-). This methylene group is then attached to a carbon atom that is part of a carbon - carbon double bond.This methylene group then attaches to a double bond carbon atom. The other carbon of the double bond is further attached to the carboxyl group.The carboxyl group is attached to the other carbon atom of the double bond.
The benzene ring in the benzyl group consists of six carbon atoms in a planar, hexagonal arrangement, with each carbon atom having a hydrogen atom attached to it, except for the one that is bonded to the methylene group.The benzene group is composed of six carbon atoms arranged in a hexagonal planar arrangement. Each carbon atom has a hydrogen attached to it except for the one bonded to methylene. The carbon - carbon double bond in the acrylic acid part of the molecule is a region of high electron density, which gives the molecule certain reactivity characteristics.The double carbon-carbon bond in the acrylic part of the molecule has a high electron density. This gives the molecule its reactivity. The carboxyl group (-COOH) contains a carbonyl group (C=O) and a hydroxyl group (-OH) attached to the same carbon atom.The carboxyl group is composed of a carbonyl (C=O), and a hydroxyl (-OH), both attached to the carbon atom. This carboxyl group can participate in various chemical reactions such as acid - base reactions, esterification, and other reactions typical of carboxylic acids.This carboxyl can be involved in a variety of chemical reactions, such as acid-base reactions, esterification and other carboxylic acid reactions. The presence of the benzyl group also influences the physical and chemical properties of 2 - Benzylacrylic acid, such as solubility, melting point, and reactivity, due to the hydrophobic nature of the aromatic ring and the inductive and resonance effects it can exert on the rest of the molecule.Due to the hydrophobicity of the aromatic ring, the presence of the benzyl groups can also influence the physical and chemical characteristics of 2 - Benzylacrylic Acid, such as its solubility, melting temperature, and reactivity.
What are the applications of 2-Benzylacrylic acid?
2 - Benzylacrylic acid has several important applications in different fields.Benzylacrylic Acid has many important applications in various fields.
In the field of organic synthesis, it serves as a valuable building block.It is a useful building block in organic synthesis. Its double bond and carboxylic acid group endow it with high reactivity.Its double-bond and carboxylic group give it a high level of reactivity. It can participate in various reactions such as addition reactions.It can be involved in many reactions, including addition reactions. For example, it can react with alkenes in a Diels - Alder - like reaction to form complex cyclic structures.It can, for example, react with alkenes to form complex cyclic structure in a Diels-Alder-like reaction. These cyclic compounds can be further modified and used in the synthesis of natural products or bioactive molecules.These cyclic compounds are further modified and can be used to synthesize natural products or bioactive molecules. The carboxylic acid group can be esterified, amidated, or reduced, allowing for the construction of a wide range of derivatives with different functional groups.The carboxylic group can be esterified or amidated, and reduced to create a variety of derivatives. This makes it useful for creating molecules with specific properties required in pharmaceutical and fine - chemical synthesis.This allows for the creation of molecules with specific properties needed in pharmaceutical and fine-chemical synthesis.
In the polymer industry, 2 - benzylacrylic acid can be used as a monomer.In the polymer industry 2 -benzylacrylic acids can be used as monomers. When polymerized, it can introduce certain properties to the resulting polymers.It can be polymerized to give the polymers certain properties. The benzyl group in the structure can enhance the hydrophobicity of the polymer.The benzyl groups in the structure can increase the hydrophobicity. Polymers containing 2 - benzylacrylic acid units may find applications in coatings.Coatings may use polymers with 2 - benzylacrylic acids. They can provide good adhesion to various substrates due to the carboxylic acid functionality, while the hydrophobic nature from the benzyl group helps in protecting the substrate from water and other environmental factors.The carboxylic acid functionality allows them to adhere well to a variety of substrates, while the hydrophobic properties from the benzyl groups protect the substrate from moisture and other environmental factors. Additionally, these polymers can be used in the production of specialty plastics.These polymers can also be used to produce specialty plastics. The unique structure of the monomer can confer properties such as improved mechanical strength or thermal stability to the polymer matrix, depending on the polymerization conditions and the co - monomers used.The monomer's unique structure can confer properties to the polymer matrix such as increased mechanical strength or thermal stabilities, depending on polymerization conditions and co-monomers used.
In the field of materials science, 2 - benzylacrylic acid can be involved in the preparation of functional materials.In the field materials science, 2-benzylacrylic acids can be used to prepare functional materials. For instance, it can be used to modify the surface of inorganic materials.It can be used, for example, to modify the surface inorganic materials. By reacting the carboxylic acid group with the surface of nanoparticles or other inorganic substrates, it can introduce organic moieties.It can introduce organic molecules by reacting the carboxylic group with the surface nanoparticles and other inorganic substrates. This modification can improve the compatibility of inorganic materials with organic solvents or polymers, enabling better dispersion in composite materials.This modification can improve inorganic materials' compatibility with organic solvents and polymers. This allows for better dispersion of composite materials. The resulting composites may have enhanced properties such as improved electrical conductivity, optical properties, or mechanical performance, which are useful in applications like electronics, optoelectronics, and high - performance engineering materials.Composites with improved properties like electrical conductivity, optical properties or mechanical performance can be useful in applications such as electronics, optoelectronics and high-performance engineering materials.
Overall, 2 - benzylacrylic acid is a versatile compound with significant potential in organic synthesis, polymer production, and materials science, contributing to the development of new and improved products in these areas.Overall, 2 benzylacrylic is a versatile chemical compound with significant potential for organic synthesis, polymerization, and materials science. It contributes to the development of improved products and new products in these fields.
What are the properties of 2-Benzylacrylic acid?
2 - Benzylacrylic acid, also known as 3 - phenyl - 2 - propenoic acid, has several notable properties.The 2 Benzylacrylic Acid, also known by the name 3 - phenyl -2 - propenoic, has a number of notable properties.
Physical properties:Physical Properties
In terms of appearance, 2 - benzylacrylic acid is typically a white to off - white crystalline solid.2 - benzylacrylic is a white or off-white crystalline solid. It has a characteristic odor, although the exact nature of the smell can be described as somewhat pungent and organic - like.It has a distinctive smell, which can be described as pungent and organic-like.
The melting point of 2 - benzylacrylic acid is an important physical constant.The melting point of 2-benzylacrylic is an important constant. It usually melts in a specific temperature range, which is around 130 - 134 degC.It melts at a specific range of temperatures, usually between 130 and 134 degrees Celsius. This relatively high melting point is due to the presence of strong intermolecular forces in the solid state.This high melting point is a result of the strong intermolecular interactions in the solid state. The carboxylic acid group (-COOH) in 2 - benzylacrylic acid can form hydrogen bonds with neighboring molecules.The carboxylic group (-COOH), which is present in 2 -benzylacrylic acids, can form hydrogen bond with adjacent molecules. These hydrogen bonds hold the molecules together in an ordered manner in the solid phase, requiring a significant amount of energy to break and thus resulting in a relatively high melting point.These hydrogen bonds keep the molecules in a crystalline state in a definite order. They require a lot of energy to break, which results in a high melting point.
It has limited solubility in water.It is not soluble in water. The hydrophobic phenyl group in 2 - benzylacrylic acid contributes to its poor solubility in the polar water solvent.Its poor solubility in water is due to the hydrophobic phenyl groups in 2 -benzylacrylic acids. However, it shows better solubility in organic solvents such as ethanol, methanol, and dichloromethane.It is more soluble in organic solvents like ethanol, dichloromethane, and methanol. Organic solvents with similar non - polar or slightly polar characteristics can interact with the phenyl and the rest of the organic structure of 2 - benzylacrylic acid through van der Waals forces, allowing it to dissolve.Organic solvents with similar non-polar or slightly-polar characteristics can interact through van der Waals with the phenyl, and the rest organic structure of 2-benzylacrylic acids. This allows it to dissolve.
Chemical properties:Chemical properties
The most reactive part of 2 - benzylacrylic acid is its carboxylic acid group.The carboxylic acid group is the most reactive part of 2-benzylacrylic acids. It can undergo typical carboxylic acid reactions.It can undergo typical carboxylic acids reactions. For example, it can react with bases to form salts.It can, for example, react with bases to produce salts. When reacting with sodium hydroxide (NaOH), it forms the corresponding sodium salt and water.It forms sodium salts and water when it reacts with sodium hydroxide. This is a simple acid - base neutralization reaction: 2 - benzylacrylic acid + NaOH - sodium 2 - benzylacrylate + H2O.This is a simple neutralization reaction between an acid and a base: 2 benzylacrylic acids + NaOH = sodium 2 benzylacrylate+ H2O.
The double bond in 2 - benzylacrylic acid also endows it with reactivity.It is also reactive due to the double bond. It can participate in addition reactions.It can be involved in addition reactions. For instance, it can react with bromine (Br2) in an addition reaction across the double bond.It can, for example, react with bromine in an addition across the double bond. The reaction mechanism involves the electrophilic attack of bromine on the electron - rich double bond, resulting in the formation of a dibromo - substituted product.The electrophilic attack by bromine on the electron-rich double bond results in the formation of dibromo-substituted product. This double - bond reactivity also makes it suitable for polymerization reactions.This double-bond reactivity makes it a good candidate for polymerization reactions. Under appropriate conditions, such as in the presence of a radical initiator, 2 - benzylacrylic acid monomers can polymerize through the double bond, forming polymers with potential applications in materials science.Under the right conditions, such a presence of a radical initiater, 2 -benzylacrylic acids monomers can polymerize via the double bond. This polymer has potential applications in materials sciences.
The phenyl group attached to the double - bond - bearing carbon can also influence the reactivity.The reactivity can also be affected by the phenyl group that is attached to the double-bond-bearing carbon. It can participate in electrophilic aromatic substitution reactions under suitable reaction conditions.It can participate in aromatic electrophilic substitution reactions when the reaction conditions are right. For example, it can react with electrophiles like nitronium ions (NO2+) in a nitration reaction, where a nitro group (-NO2) substitutes one of the hydrogen atoms on the phenyl ring.It can, for example, react with electrophiles such as nitronium (NO2+) ions in a reaction called nitration, where the nitro group (-NO2) replaces one of hydrogen atoms within the phenyl rings. This reaction is useful for introducing new functional groups into the molecule, which can further modify its properties for various applications.This reaction can be used to introduce new functional groups in the molecule that can further modify it for different applications.
How is 2-Benzylacrylic acid synthesized?
2 - Benzylacrylic acid can be synthesized through several methods.Benzylacrylic Acid can be synthesized in several ways. One common approach is via the Knoevenagel condensation reaction.Knoevenagel condensation is a common method.
In the Knoevenagel condensation, benzaldehyde and malonic acid are used as starting materials.In the Knoevenagel reaction, benzaldehyde is used as a starting material. First, benzaldehyde is a key aromatic aldehyde with a benzene ring attached to a formyl group.First, benzaldehyde has a benzene group attached to a formyl ring. Malonic acid, on the other hand, has two carboxyl groups separated by a methylene group.Malonic acid has two carboxyl group separated by a methylene.
These two reactants are combined in the presence of a base catalyst.The two reactants are combined with a base catalyst. The base can be an amine such as piperidine.The base can be a amine, such as piperidine. The function of the base is to deprotonate the acidic hydrogens of malonic acid.The base's function is to deprotonate malonic acid's acidic hydrogens. The deprotonated malonic acid then acts as a nucleophile and attacks the carbonyl carbon of benzaldehyde.The deprotonated acid acts as a nucleophile, attacking the carbonyl atom of benzaldehyde. This forms an intermediate.This forms an intermediary.
Subsequently, a series of reactions occur.A series of reactions follow. There is an elimination of a molecule of carbon dioxide from the intermediate.The intermediate is elimated of one molecule of CO2. This elimination step is driven by the stability gained from the formation of a double bond.This step of elimination is driven by the increased stability that comes from a double-bond. As a result of this process, 2 - benzylacrylic acid is formed.This process produces 2 - benzylacrylic acids. The overall reaction can be represented as follows: benzaldehyde + malonic acid in the presence of piperidine catalyst leads to 2 - benzylacrylic acid + carbon dioxide + water.The overall reaction is represented as follows: benzaldehyde and malonic acid, in the presence a piperidine catalyst, leads to 2 -benzylacrylic acids + carbon dioxide +water.
Another method could involve the reaction of benzyl halide with an appropriate acrylic acid derivative.Another method would be to react benzyl chloride with a suitable acrylic acid derivative. For example, reacting benzyl bromide with a salt of acrylic acid such as the sodium salt of acrylic acid.Reacting benzyl chloride with a sodium salt of an acrylic acid salt, for example. In this reaction, the bromide ion of benzyl bromide is displaced by the carboxylate anion of the sodium acrylate.In this reaction, sodium acrylate replaces the carboxylate anion in the bromide of benzylbromide. This substitution reaction results in the formation of 2 - benzylacrylic acid.This substitution reaction leads to the formation of 2-benzylacrylic acids. However, this method may require careful control of reaction conditions to ensure high yields and minimize side reactions.This method may require that the reaction conditions are carefully controlled to maximize yields and minimize side-reactions. Side reactions could include the formation of polymers or the reaction of the benzyl halide with other impurities present in the reaction mixture.Side reactions include polymer formation or the reaction between the benzyl chloride and other impurities in the reaction mixture.
In conclusion, the Knoevenagel condensation is a relatively straightforward and commonly used method for the synthesis of 2 - benzylacrylic acid due to the availability of starting materials and the simplicity of the reaction mechanism.Knoevenagel condensation, due to its simplicity and availability of the starting materials, is a common and straightforward method for the synthesis 2 - benzylacrylic acids. But other methods like the reaction of benzyl halide with acrylic acid derivatives also offer alternative routes with their own considerations regarding reaction conditions and potential side reactions.Other methods, such as the reaction of benzyl chloride with acrylic acid derivatives, also offer alternative routes. However, they have their own considerations about reaction conditions and possible side reactions.
What are the safety precautions when handling 2-Benzylacrylic acid?
2 - Benzylacrylic acid is a chemical compound that requires certain safety precautions during handling.2 - Benzylacrylic Acid is a chemical compound which requires special precautions when handling.
First, in terms of personal protective equipment.Personal protective equipment is the first thing to consider. When dealing with 2 - Benzylacrylic acid, it is essential to wear appropriate protective clothing.It is important to wear protective clothing when working with 2 - Benzylacrylic Acid. This includes long - sleeved lab coats or coveralls made of a chemical - resistant material.Wearing long-sleeved lab jackets or coveralls that are made from a chemical-resistant material is essential. This helps to prevent the chemical from coming into contact with the skin, which could potentially cause irritation, allergic reactions, or other harmful effects.This will prevent the chemical from coming in contact with your skin, which can cause irritation, allergy reactions, and other harmful effects. Gloves are also crucial.Gloves are important. Nitrile or neoprene gloves are often good choices as they can provide a barrier against the chemical.Gloves made of neoprene or nitrile are good choices because they provide a barrier to the chemical. However, it is important to regularly check the gloves for any signs of damage or leakage.It is important to check the gloves regularly for signs of damage or leakage.
Eye protection is another key aspect.Another important aspect is eye protection. Safety goggles or a face shield should be worn at all times when handling 2 - Benzylacrylic acid.Wear safety goggles or a shield at all times while handling 2 - Benzylacrylic Acid. Even a small splash of the chemical into the eyes can lead to serious eye injuries, such as corneal damage, irritation, and potential loss of vision.Even a small splash can cause serious eye injuries such as corneal injury, irritation, or even loss of vision.
In the work environment, ensure good ventilation.Assure good ventilation in the workplace. 2 - Benzylacrylic acid may release vapors, and a well - ventilated area helps to disperse these vapors, reducing the risk of inhalation.A well-ventilated area can help disperse vapors from 2 - Benzylacrylic Acid, reducing the risk for inhalation. If possible, handle the chemical in a fume hood.Handle the chemical under a fume-hood if possible. A fume hood can effectively capture and exhaust any potentially harmful vapors, keeping the air in the work area clean and safe to breathe.A fume hood will effectively capture and exhaust all potentially harmful vapors. This will keep the air in your work area clean and safe.
When it comes to storage, keep 2 - Benzylacrylic acid in a cool, dry place, away from sources of heat and ignition.Keep 2 - Benzylacrylic Acid in a cool and dry place away from heat sources and ignition. It should be stored in a properly labeled container that is tightly sealed to prevent leakage.It should be stored in an appropriately labeled, tightly sealed container to prevent leakage. Avoid storing it near incompatible substances.Avoid storing it in close proximity to incompatible substances. For example, acids should not be stored near bases as this could lead to dangerous chemical reactions.Acids, for example, should not be stored next to bases because this could cause dangerous chemical reactions.
In case of accidental exposure, have an emergency plan in place.Prepare an emergency plan for accidental exposure. If the chemical comes into contact with the skin, immediately rinse the affected area with plenty of water for at least 15 minutes.If the chemical comes in contact with your skin, immediately rinse it with plenty of water. Remove any contaminated clothing during this process.During this process, remove any contaminated clothing. If it gets into the eyes, flush the eyes with copious amounts of water for a prolonged period and seek immediate medical attention.If it gets in the eyes, flush them with large amounts of water and seek immediate medical care. In the event of inhalation, move the affected person to fresh air immediately.In the case of inhalation, the affected person should be moved to fresh air as soon as possible. If the person is not breathing, perform CPR if trained to do so and call for emergency medical help.If the person does not breathe, perform CPR on them if you are trained to do so. Call for emergency medical assistance.
Finally, ensure that all personnel handling 2 - Benzylacrylic acid are properly trained in its safe handling procedures.Lastly, ensure that any personnel handling 2 Benzylacrylic Acid is properly trained in safe handling procedures. They should be aware of the potential hazards and know how to respond in case of an emergency.They should be aware that there are potential hazards and how to react in an emergency.