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Product Name | 3-(4-Pyridyl)acrylic acid |
Cas Number | 10560-14-0 |
Formula | C8H7NO2 |
Molar Mass | 149.15 |
Property 1 | Appearance: White to off-white crystalline powder |
Property 2 | Solubility: Soluble in water |
Property 3 | Melting Point: 223-225 °C |
Property 4 | Boiling Point: Not available |
Property 5 | Density: Not available |
Property 6 | Refractive Index: Not available |
Property 7 | pKa: Approximately 4.5 |
Property 8 | Flash Point: Not available |
Property 9 | Stability: Stable under recommended storage conditions |
Property 10 | Storage Conditions: Store in a cool, dry place |
What is the chemical structure of 3-(4-Pyridyl)acrylic acid?
3-(4-Pyridyl)acrylic acid is an organic compound with the following chemical structure details.The chemical structure of 3-(4-Pyridylacrylic acid) is as follows.
The molecule contains a pyridyl group and an acrylic acid moiety.The molecule contains an acrylic acid and a pyridyl moiety. The pyridyl group is a six - membered aromatic heterocyclic ring.The pyridyl ring is a six-membered aromatic heterocyclic group. In this case, it is specifically the 4 - pyridyl group, meaning that the point of attachment to the rest of the molecule is at the fourth position of the pyridine ring.In this case it is the 4 -pyridyl, which means that the point of attachement to the rest is at the fourth position on the pyridine rings. The pyridine ring has five carbon atoms and one nitrogen atom in the ring structure, with alternating double bonds that confer aromaticity to the ring.The pyridine rings have five carbon atoms, one nitrogen atom and alternating double bonds. This gives the ring its aromaticity. Aromaticity gives the pyridine ring stability and unique chemical properties.Aromaticity is what gives the pyridine rings stability and unique properties.
The acrylic acid part consists of a vinyl group (a two - carbon double - bonded structure) attached to a carboxylic acid group (-COOH).The acrylic acid is composed of a vinyl group attached to a carboxylic group (-COOH). The double bond in the vinyl group is a site of high reactivity, capable of undergoing addition reactions.The double bond of the vinyl group is highly reactive and capable of addition reactions. The carboxylic acid group is a polar functional group.The carboxylic group is a functional group with polarity. It can participate in acid - base reactions, as it can donate a proton due to the relatively acidic nature of the hydrogen atom in the -COOH group.It can participate in acid-base reactions due to the relative acidity of the hydrogen atoms in the -COOH groups.
When the 4 - pyridyl group and the acrylic acid moiety are combined, the carbon atom at the fourth position of the pyridine ring is connected to one of the carbon atoms in the vinyl part of the acrylic acid.The carbon atom in the fourth position of pyridine is connected to a carbon atom in the vinyl portion of acrylic acid when the two are combined. This connection forms the overall structure of 3-(4 - Pyridyl)acrylic acid.This connection is the basis of the 3-(4-Pyridyl)acrylic Acid structure. The presence of both the aromatic pyridyl ring and the reactive vinyl and carboxylic acid groups makes 3-(4 - Pyridyl)acrylic acid useful in various chemical reactions and applications.3-(4-Pyridyl)acrylic Acid is useful for a variety of chemical reactions and applications due to the presence of the aromatic pyridyl group and the carboxylic and vinyl acid groups. For example, the double bond can be used in polymerization reactions, and the carboxylic acid group can be used to form esters or amides through reactions with alcohols or amines respectively.The double bond can, for example, be used in polymerization, and the carboxylic group can be utilized to form esters oramides by reacting with alcohols or amino acids. The aromatic nature of the pyridyl ring can also influence the physical and chemical properties of the molecule, such as its solubility and reactivity in different solvents and reaction environments.The aromatic nature of pyridyl rings can also affect the physical and chemical characteristics of the molecule. For example, its solubility and reaction environment. Overall, the chemical structure of 3-(4 - Pyridyl)acrylic acid combines the characteristics of the pyridine ring and acrylic acid, enabling it to be a versatile building block in organic synthesis.The chemical structure of 3-(4-Pyridyl)acrylic acids combines the properties of the pyridine and acrylic acid. This makes it a versatile building component in organic synthesis.
What are the applications of 3-(4-Pyridyl)acrylic acid?
3-(4-Pyridyl)acrylic acid has several important applications.There are many important applications for 3-(4-Pyridyl).
In the field of coordination chemistry, it serves as a versatile ligand.It is a versatile ligand in the field of coordination. Its pyridyl group and the acrylic acid moiety endow it with the ability to coordinate with metal ions in various ways.Its pyridyl moiety and its acrylic acid group give it the ability to coordinate in different ways with metal ions. This allows for the construction of diverse metal - organic frameworks (MOFs).This allows the construction of different metal-organic frameworks (MOFs). MOFs formed with 3-(4 - Pyridyl)acrylic acid can have unique porous structures.MOFs made with 3-(4-Pyridyl)acrylic acids can have unique porous structure. These porous materials find applications in gas storage and separation.These porous materials are used in gas separation and storage. For example, they can selectively adsorb certain gases like carbon dioxide from a gas mixture.They can, for example, selectively adsorb carbon dioxide from a mixture of gases. This is crucial in industries such as post - combustion carbon capture, where the efficient separation of CO2 from flue gases can help mitigate greenhouse gas emissions.This is important in industries like post-combustion carbon capture where the separation of CO2 and flue gases efficiently can help reduce greenhouse gas emissions.
In the area of materials science, 3-(4 - Pyridyl)acrylic acid can be used in the synthesis of functional polymers.In the field of materials science, 3-(4-Pyridyl)acrylic acids can be used to synthesize functional polymers. When incorporated into polymer chains, it can introduce specific properties.It can be incorporated into polymer chain to introduce specific properties. The pyridyl group can participate in various chemical reactions, enabling the modification of the polymer's surface or bulk properties.The pyridyl groups can be involved in a variety of chemical reactions that modify the surface or bulk properties of polymers. For instance, it can be used to create polymers with enhanced adhesion properties.It can be used, for example, to create polymers that have enhanced adhesion. These polymers may be useful in coatings, where good adhesion to different substrates is essential for the durability and performance of the coating.These polymers can be used in coatings where adhesion is important for durability and performance.
In addition, in the pharmaceutical and medicinal chemistry realm, compounds containing the 3-(4 - Pyridyl)acrylic acid moiety may possess potential biological activities.Compounds containing the 3-(4-Pyridyl)acrylic acids moiety also possess potential biological activity in the pharmaceutical and medicinal chemical realm. The pyridine ring and the acrylic acid part can interact with biological targets in the body.The pyridine ring can interact with biological targets within the body. Some derivatives might exhibit antibacterial or anti - inflammatory properties.Some derivatives may have antibacterial or anti-inflammatory properties. Scientists can modify the structure of 3-(4 - Pyridyl)acrylic acid to optimize its interaction with specific receptors or enzymes in the body, leading to the development of new drugs.Scientists can modify 3-(4-Pyridyl)acrylic Acid's structure to optimize its interaction to specific receptors or enzymes within the body. This will lead to the development of novel drugs.
Moreover, in the area of supramolecular chemistry, 3-(4 - Pyridyl)acrylic acid can engage in non - covalent interactions such as hydrogen bonding and p - p stacking.In the field of supramolecular chemical, 3-(4-pyridyl)acrylic acids can engage in non-covalent interactions, such as hydrogen bonds and p-p stacking. These interactions can be exploited to build complex supramolecular assemblies.These interactions can be used to build complex supramolecular assembly. These assemblies can have applications in areas like molecular sensing.These assemblies have applications in areas such as molecular sensing. The specific interactions of 3-(4 - Pyridyl)acrylic acid - based supramolecules with target analytes can be detected through changes in fluorescence or other physical properties, enabling the development of sensitive sensors for detecting various substances in environmental or biological samples.Changes in fluorescence and other physical properties can be used to detect the specific interactions between 3-(4-Pyridyl-)acrylic acid-based supramolecules and target analytes. This allows for the development of sensitive sensors that can detect various substances in biological or environmental samples.
How is 3-(4-Pyridyl)acrylic acid synthesized?
3-(4-Pyridyl)acrylic acid can be synthesized through the following general approach.The following general approach can be used to synthesize 3-(4-Pyridyl).
One common method is based on the Knoevenagel condensation reaction.Knoevenagel condensation is a common method. In this reaction, 4 - pyridinecarboxaldehyde and malonic acid are often used as starting materials. The reaction is usually carried out in the presence of a base catalyst.The reaction is carried out with a base catalyst.
The base helps to deprotonate malonic acid, generating a reactive enolate anion.The base is responsible for deprotonating malonic acid and generating an enolate anion. The 4 - pyridinecarboxaldehyde has a carbonyl group that is electrophilic. The enolate anion attacks the carbonyl carbon of 4 - pyridinecarboxaldehyde, forming an intermediate. Then, through a series of elimination reactions, water and carbon dioxide are removed.Water and carbon dioxide will be removed through a series elimination reactions. The elimination of water is facilitated by the basic reaction conditions, and the decarboxylation step occurs due to the presence of the malonic acid moiety.The basic reaction conditions facilitate the elimination of water, and the decarboxylation occurs because of the presence of malonic acid. As a result, 3-(4 - pyridyl)acrylic acid is formed.The 3-(4-pyridyl )acrylic acid that is formed is the result.
For example, the reaction can be carried out in a suitable solvent such as pyridine.The reaction can, for example, be carried out using pyridine as a solvent. Pyridine not only serves as a solvent but also can participate in the reaction mechanism as a base catalyst to some extent.Pyridine can be used as a catalyst and as a solvent. The reaction temperature is typically controlled within a certain range, usually around the reflux temperature of the solvent.The temperature of the reaction is usually controlled within a range, typically around the reflux temperature for the solvent. This is to ensure that the reaction proceeds at a reasonable rate.This is done to ensure the reaction proceeds at an acceptable rate.
Another possible synthetic route could involve the use of Heck reaction.Heck reaction is another possible route. In this case, an appropriate vinyl halide derivative and a 4 - pyridyl - containing organometallic reagent or a 4 - pyridyl - containing aryl halide can be used.In this case, a vinyl halide and an organometallic reagent containing 4 -pyridyl or a 4-pyridyl-containing aryl-halide can be employed. A palladium - based catalyst is commonly employed in the Heck reaction.In the Heck reaction, a palladium-based catalyst is often used. The reaction conditions need to be carefully optimized, including the choice of ligands for the palladium catalyst, the base used, and the reaction temperature and time.The reaction conditions must be optimized, including the choice and use of the palladium catalyst and base, as well as the temperature and reaction time. However, compared to the Knoevenagel condensation, the Heck reaction may require more complex reaction conditions and more expensive catalysts.The Heck reaction, in comparison to the Knoevenagel condensate, may require more complex conditions and more expensive catalysers.
In summary, the Knoevenagel condensation using 4 - pyridinecarboxaldehyde and malonic acid is a relatively straightforward and commonly used method for the synthesis of 3-(4 - pyridyl)acrylic acid. The reaction conditions can be adjusted according to the specific requirements of yield and purity to obtain the desired product.The reaction conditions are adjusted to meet the specific yield and purity requirements to obtain the desired product.
What are the physical properties of 3-(4-Pyridyl)acrylic acid?
3-(4 - Pyridyl)acrylic acid is a compound with distinct physical properties.3-(4-Pyridyl)acrylic Acid is a compound that has distinct physical properties.
Appearance: It typically exists as a solid.Appearance: It is usually a solid. Solid compounds can have various physical forms, and 3-(4 - Pyridyl)acrylic acid may present as fine crystals or a powder.Solid compounds can take on many different physical forms. 3-(4-Pyridyl)acrylic acids may appear as fine crystals, or as a powder. The crystalline nature is often due to the regular arrangement of its molecules held together by intermolecular forces.The crystalline structure is due to the regular arrangement and intermolecular force that hold its molecules together.
Color: Usually, it is a white or off - white solid.Color: It is usually a white or off-white solid. The light color is related to its molecular structure and the way it interacts with visible light.The light color is determined by its molecular composition and how it interacts with visible radiation. The absence of highly conjugated systems that can absorb visible light in the non - ultraviolet region results in this light - colored appearance.This light-colored appearance is caused by the absence of highly conjugated system that can absorb visible in the non-ultra violet region.
Melting Point: The melting point of 3-(4 - Pyridyl)acrylic acid is an important physical property.Melting Point: The melting temperature of 3-(4-Pyridyl)acrylic acids is an important property. It provides information about the strength of the intermolecular forces within the solid.It gives information about the strength and direction of the intermolecular interactions within the solid. Specific intermolecular interactions such as hydrogen bonding, van der Waals forces, and p - p stacking contribute to the energy required to break the solid lattice and convert it to a liquid state.Intermolecular interactions like hydrogen bonding, Van der Waals forces and p-p stacking are responsible for the energy needed to break the solid and convert it into a liquid. Precise determination of the melting point can be used for identification and purity assessment of the compound.The melting point can be used to identify and assess the purity of a compound. For example, an impure sample may have a lower and broader melting point range compared to a pure one.A sample that is impure may have a melting point range that is lower and wider than a pure sample.
Solubility: In terms of solubility, 3-(4 - Pyridyl)acrylic acid shows different behaviors in various solvents.Solubility: 3-(4-Pyridyl)acrylic Acid shows different behavior in terms of solubility when it comes to different solvents. It has limited solubility in non - polar solvents such as hexane.It is only soluble in non-polar solvents like hexane. This is because the compound is relatively polar due to the presence of the carboxylic acid group (-COOH) and the pyridyl group.The compound is polar because of the presence of carboxylic acid groups (-COOH), and the pyridyl groups. Polar solvents like water, methanol, and ethanol are more likely to interact with 3-(4 - Pyridyl)acrylic acid through hydrogen bonding and dipole - dipole interactions.Water, methanol and ethanol are polar solvents that interact more with 3-(4- Pyridyl-acrylic acid) through hydrogen bonds and dipole-dipole interactions. In water, the carboxylic acid group can ionize to some extent, increasing its solubility in an aqueous environment.The carboxylic group in water can ionize, increasing its solubility. However, its solubility in water may still be restricted depending on factors like temperature and pH.Its solubility in aqueous environments can still be limited by factors such as temperature and pH. At higher temperatures, the solubility in water generally increases as more thermal energy is available to overcome the intermolecular forces holding the solid together.As water temperatures rise, solubility increases because more thermal energy can be used to overcome the intermolecular force holding the solid together. In organic polar solvents like methanol, it may dissolve more readily due to the compatibility of the polar functional groups with the solvent molecules.In organic polar solvants like methanol it may dissolve more easily due to the compatibility between the polar functional group and the solvent molecules.
Density: The density of 3-(4 - Pyridyl)acrylic acid is also a characteristic physical property.Density is another characteristic property of 3-(4-Pyridyl)acrylic Acid. It is related to the mass of the molecules and the volume they occupy in the solid state.It is a function of the mass and volume of the molecules in the solid state. The density value can be useful in various applications, such as in formulating mixtures or in determining the amount of the compound in a given volume for industrial or laboratory - scale processes.The density value is useful for a variety of applications, including formulating mixtures and determining the amount in a given volume.
In conclusion, understanding the physical properties of 3-(4 - Pyridyl)acrylic acid is crucial for its handling, purification, and utilization in different chemical reactions and applications.Understanding the physical properties of 3-(4-Pyridyl)acrylic is important for its handling, purity, and application in different chemical reactions. These properties are determined by its molecular structure and the intermolecular forces that govern its behavior in different physical states and environments.These properties are determined primarily by its molecular composition and the intermolecular interactions that govern its behavior under different physical conditions and environments.
What are the safety precautions when handling 3-(4-Pyridyl)acrylic acid?
When handling 3-(4 - Pyridyl)acrylic acid, several safety precautions should be followed.Safety precautions must be taken when handling 3-(4-Pyridyl)acrylic Acid.
First, in terms of personal protective equipment.Personal protective equipment is the first thing to consider. Wear appropriate laboratory coats to prevent any contact of the chemical with regular clothing.Wear laboratory coats to avoid any contact between the chemical and regular clothing. This helps contain potential spills and reduces the risk of skin exposure.This will help contain any spills and reduce the risk of skin contact. Safety goggles are a must.Safety goggles should be worn. 3-(4 - Pyridyl)acrylic acid could cause eye irritation or damage if it comes into contact with the eyes.If 3-(4-Pyridyl)acrylic Acid comes into contact with your eyes, it could cause irritation or damage. In case of an accidental splash, having goggles on can act as a physical barrier.Goggles can be used as a physical barrier in the event of an accidental splash. Additionally, nitrile gloves should be worn.Nitrile gloves are also recommended. These gloves provide good chemical resistance, protecting the hands from direct contact with the acid, which may cause skin irritation, burns, or absorption through the skin.These gloves offer good chemical resistance and protect the hands from direct exposure to the acid which can cause skin irritation, burning, or absorption of the acid through the skin.
Second, proper ventilation is crucial.Second, it is important to have 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. 3-(4 - Pyridyl)acrylic acid may release fumes or dust particles into the air.3-(4-Pyridyl)acrylic Acid can release dust or fumes into the air. Inadequate ventilation can lead to the inhalation of these substances, which may cause respiratory problems such as coughing, shortness of breath, or irritation of the respiratory tract.Inadequate ventilation may lead to inhalation of these substances. This can cause respiratory problems, such as coughing or shortness of breathe, or irritation of respiratory tract. The fume hood effectively captures and exhausts these potentially harmful fumes, maintaining a safe breathing environment.The fume hood captures and exhausts the potentially harmful fumes to maintain a safe working environment.
Third, storage of 3-(4 - Pyridyl)acrylic acid needs to be carefully considered.Third, the storage of 3-(4-Pyridyl)acrylic is important. Store it in a cool, dry place away from sources of heat and ignition.Store it in a dry, cool place away from heat sources and ignition. Heat can accelerate chemical reactions, potentially leading to decomposition or an increase in the volatility of the compound.Heat can accelerate chemical reaction, which could lead to decomposition of the compound or an increase in its volatility. Keep it in a tightly sealed container to prevent the release of dust or fumes and to protect it from moisture, which might affect its chemical properties.Keep it in an airtight container to prevent dust or fumes from escaping and to protect the chemical properties.
Fourth, in case of accidental exposure, know the proper first - aid measures.In the event of accidental exposure, you should know what to do first. If it comes into contact with the skin, immediately rinse the affected area with plenty of water for at least 15 minutes.If it comes in contact with your skin, rinse the area immediately with plenty of water and for at least 15 min. This helps to dilute and remove the acid from the skin.This helps dilute the acid and remove it from the skin. For eye contact, flush the eyes with copious amounts of water and seek immediate medical attention.If the acid comes in contact with your eyes, you should immediately seek medical attention and flush the eyes with plenty of water. If inhaled, move to fresh air immediately.If inhaled immediately move to fresh air. If the person is having difficulty breathing, provide artificial respiration if trained to do so and call for emergency medical help.If the person has difficulty breathing, if you are trained to do this, provide artificial ventilation and call emergency medical help. In case of ingestion, do not induce vomiting unless directed by a medical professional.If you have eaten something, do not induce vomiting without the permission of a medical professional. Instead, give the victim water to drink and seek medical assistance promptly.Give the victim water and seek medical attention immediately.
Finally, when disposing of 3-(4 - Pyridyl)acrylic acid or any waste containing it, follow local regulations and institutional guidelines.Follow local regulations and institutional guidelines when disposing of 3-(4-Pyridyl)acrylic or any waste that contains it. Do not pour it down the drain or discard it in regular trash.Do not dispose of it in the regular trash or down the drain. Proper disposal ensures that the environment is protected from potential pollution and harm.Proper disposal protects the environment from pollution and harm.