.
Product Name | 4-Pyridineacrylic acid |
Cas Number | 938-62-1 |
Formula | C8H7NO2 |
Molar Mass | 149.15 |
Density | 1.275 g/cm3 |
Melting Point | 155-158 °C |
Boiling Point | Not available |
Solubility | Soluble in water |
Appearance | White to off-white powder |
Pka | 3.59 |
Logp | 0.53 |
Refractive Index | Not available |
Flash Point | Not available |
Stability | Stable under recommended storage conditions |
What is the chemical structure of 4-Pyridineacrylic acid?
4 - Pyridineacrylic acid has the following chemical structure characteristics.The following chemical structure features are present in pyridineacrylic acid.
The name "4 - Pyridineacrylic acid" indicates that it is composed of two main parts: a pyridine ring and an acrylic acid moiety.The name "4-Pyridineacrylic Acid" indicates that the acid is composed of two major parts: a Pyridine ring and a moiety of acrylic acid.
The pyridine ring is a six - membered aromatic heterocyclic ring.The pyridine ring has six members. In pyridine, one of the carbon atoms in the benzene - like ring structure is replaced by a nitrogen atom.In pyridine one of the carbons in the benzene-like ring structure has been replaced by a Nitrogen atom. The nitrogen atom in the pyridine ring has a lone pair of electrons, which gives the ring certain electronic and chemical properties different from benzene.The nitrogen atom has a single pair of electrons in the pyridine rings, which gives it electronic and chemical properties that are different from benzene. The pyridine ring has a planar structure due to the delocalization of p - electrons around the ring, following Huckel's rule for aromaticity (it has 6 p - electrons).The pyridine has a planar ring structure because of the delocalization p-electrons around the ring. This is due to Huckel's rule (it has six p-electrons).
The acrylic acid part is a vinyl - carboxylic acid.The acrylic acid is a vinyl-carboxylic acid. It consists of a carbon - carbon double bond (C = C) and a carboxylic acid group (-COOH).It is composed of a double carbon-carbon bond (C=C) and a carboxylic group (-COOH). The carbon - carbon double bond is a site of high reactivity, being able to participate in addition reactions, such as electrophilic addition reactions.The carbon-carbon double bond is highly reactive, and can participate in addition reactions such as electrophilic reactions. The carboxylic acid group has acidic properties, as the hydrogen atom in -COOH can be donated as a proton, and it can also participate in reactions like esterification, where the -OH group of the carboxylic acid reacts with an alcohol to form an ester.The carboxylic group is acidic, because the hydrogen atom can be donated to a proton in -COOH. It can also participate in reactions such as esterification where the OH group of the carboxylic group reacts with alcohol to form an ester.
In 4 - Pyridineacrylic acid, the acrylic acid moiety is attached to the 4 - position of the pyridine ring.The acrylic acid moiety in 4 - Pyridineacrylic Acid is attached to position 4 of the pyridine ring. That is, the carbon atom in the acrylic acid chain is bonded to the carbon atom at the fourth position of the pyridine ring.The carbon atom of the acrylic acid chain is attached to the carbon at the fourth position in the pyridine ring. This connection between the pyridine ring and the acrylic acid group combines the properties of both components.This connection between pyridine and the acrylic group combines properties of both components. The presence of the pyridine ring can influence the reactivity of the acrylic acid part, and vice versa.The presence of a pyridine ring may influence the reactivity and vice versa of the acrylic acid component. For example, the electron - withdrawing effect of the pyridine nitrogen can affect the acidity of the carboxylic acid group, and the carbon - carbon double bond can also interact with the p - electron system of the pyridine ring, potentially influencing the overall electronic distribution and reactivity of the molecule.The electron - withdrawing effects of the nitrogen pyridine can affect the acidity and reactivity. The carbon - carbon double bonds can also interact with p-electrons of the pyridine rings, potentially affecting the overall electronic distribution. This unique chemical structure makes 4 - Pyridineacrylic acid useful in various chemical reactions and potentially in applications such as in the synthesis of pharmaceuticals or materials with specific properties related to its dual - functional nature.This unique chemical structure makes the 4 - Pyridineacrylic Acid useful in a variety of chemical reactions, and potentially in applications like the synthesis or pharmaceuticals.
What are the applications of 4-Pyridineacrylic acid?
4 - Pyridineacrylic acid has several important applications.4 - Pyridineacrylic acids has many important applications.
In the field of organic synthesis, it serves as a valuable building block.It is a valuable building material in organic synthesis. Its unique chemical structure, with a pyridine ring and an acrylic acid moiety, allows chemists to create a variety of complex organic compounds.Its unique chemistry, which consists of a pyridine moiety and an acrylic acid ring, allows chemists create a wide range of complex organic compounds. For example, it can be used in condensation reactions.It can be used, for example, in condensation reactions. The double bond in the acrylic acid part can participate in reactions like Diels - Alder reactions, enabling the formation of cyclic structures.The double bond of the acrylic acid can be used in reactions such as Diels-Alder reactions to form cyclic structures. These new compounds may have potential applications in the development of pharmaceuticals, agrochemicals, or materials with specific properties.These compounds could be used to develop pharmaceuticals, agrochemicals or materials with specific properties.
Regarding pharmaceuticals, 4 - Pyridineacrylic acid derivatives may exhibit biological activities.In the pharmaceutical industry, 4 - Pyridineacrylic acids derivatives may show biological activity. The pyridine ring is known to be present in many bioactive molecules.Many bioactive molecules contain the pyridine ring. By modifying the structure of 4 - Pyridineacrylic acid, it is possible to design compounds that can interact with biological targets such as enzymes or receptors.By modifying the 4 - Pyridineacrylic Acid structure, it is possible design compounds that interact with biological targets like enzymes or receptors. Some derivatives might show antibacterial, antifungal, or anti - inflammatory properties.Some derivatives may have antibacterial, antifungal or anti-inflammatory properties. For instance, they could potentially inhibit the growth of certain pathogenic bacteria by interfering with key metabolic pathways, similar to how some known pyridine - containing drugs work.They could, for example, inhibit the growth of pathogenic bacteria through interfering with key metabolism pathways, similar to what some known pyridine-containing drugs do.
In the area of materials science, 4 - Pyridineacrylic acid can be used in the synthesis of polymers.In the field of materials science, 4-Pyridineacrylic Acid can be used to synthesize polymers. The double bond can be polymerized to form polymers with unique properties.Polymerization of the double bond can lead to polymers with unique properties. These polymers may have applications in coatings.These polymers can be used in coatings. Due to the presence of the pyridine group, the resulting polymers can have good adhesion to various substrates.The polymers produced can adhere well to different substrates due to the presence of pyridine. They can also potentially be used in the development of ion - exchange resins.They could also be used to develop ion-exchange resins. The pyridine ring can act as a site for the attachment of functional groups that can participate in ion - exchange processes, which are useful in water treatment, separation of metal ions, and other industrial processes.The pyridine rings can be used as a site to attach functional groups that are involved in ion-exchange processes. These processes can be useful in water treatment, metal ion separation, and other industrial processes.
Furthermore, in the field of dyes and pigments, 4 - Pyridineacrylic acid can be incorporated into chromophoric systems.In addition, in the dyes and pigments field, 4 - pyridineacrylic acids can be incorporated into colorophoric systems. The combination of the pyridine ring and the unsaturated acrylic acid part can contribute to the color - forming ability of the molecule.The combination of pyridine and unsaturated acrylic acids can contribute to the ability of a molecule to form color. Compounds based on 4 - Pyridineacrylic acid may be designed to absorb light in specific regions of the electromagnetic spectrum, making them suitable for use as dyes in textile coloring, ink formulations, or as pigments in paints, where they can provide vivid and stable colors.Compounds based upon 4 - Pyridineacrylic Acid can be designed to absorb specific wavelengths of light. This makes them suitable as dyes for textile coloring, ink formulations or pigments in paints.
What are the properties of 4-Pyridineacrylic acid?
4 - Pyridineacrylic acid has several notable properties.The pyridineacrylic acid possesses several notable properties.
Physical Properties
In terms of appearance, 4 - pyridineacrylic acid is typically a solid.In terms of appearance 4 - pyridineacrylic is usually a solid. Its melting point is an important characteristic.Its melting temperature is an important characteristic. Precise melting point values can vary depending on factors such as purity, but generally, it has a well - defined melting point within a certain temperature range.The melting point can vary based on factors like purity, but it is usually well-defined within a specific temperature range. This property is useful in identifying and purifying the compound through techniques like melting point determination.This property can be used to identify and purify the compound using techniques such as melting point determination.
It has a characteristic solubility profile.It has a distinctive solubility profile. It may show limited solubility in non - polar solvents such as hexane due to the polar nature of its functional groups.Due to its polar functional groups, it may have limited solubility with non-polar solvents like hexane. The pyridine ring and the acrylic acid moiety both contribute to its polarity.Both the pyridine ring as well as the acrylic acid moiety contribute to its polarity. In polar solvents like water and alcohols, its solubility is relatively higher.In polar solvents such as water and alcohols its solubility tends to be higher. For example, it may dissolve to a certain extent in methanol or ethanol, which is beneficial for formulating solutions for various chemical reactions or for its use in pharmaceutical or chemical applications where homogeneous solutions are required.It may dissolve to some extent in methanol and ethanol. This is useful for formulating solutions in various chemical reactions, or for its use as a pharmaceutical or chemical application where homogenous solutions are needed.
Chemical Properties
The pyridine ring in 4 - pyridineacrylic acid imparts basicity to the molecule.The pyridine ring of 4 -pyridineacrylic acids imparts basicity to a molecule. Pyridine is a weak base, and the nitrogen atom in the ring can accept a proton.The nitrogen atom of the pyridine ring is a weak acid, and can accept a proton. This basic property allows 4 - pyridineacrylic acid to react with acids to form salts.This property allows 4 pyridineacrylic acids to react with other acids to form salts. These salts can have different physical and chemical properties compared to the free acid form, and they may be more soluble in certain solvents, which can be exploited in separation and purification processes.These salts may have different chemical and physical properties than the free acid, and they can be more soluble in some solvents. This can be used in separation and purification procedures.
The acrylic acid part of the molecule contains a carbon - carbon double bond and a carboxylic acid group.The acrylic acid part contains a double carbon-carbon bond and a carboxylic group. The carbon - carbon double bond is reactive and can undergo addition reactions.The carbon-carbon double bond is reactive, and can undergo addition reaction. For instance, it can react with electrophiles in electrophilic addition reactions.It can, for example, react with electrophiles during electrophilic addition reaction. This reactivity makes 4 - pyridineacrylic acid useful in the synthesis of more complex organic compounds.This reactivity makes the 4 - pyridineacrylic acids useful in the synthesis more complex organic compounds. The carboxylic acid group can participate in typical acid - base reactions, forming salts with bases.The carboxylic group can be involved in acid-base reactions to form salts. It can also react with alcohols to form esters through esterification reactions.It can also react to form esters by esterification with alcohols. This ability to form esters is important in the creation of derivatives with potentially different biological activities or physical properties.This ability to form esters is important for the creation of derivatives that may have different biological or physical properties.
4 - pyridineacrylic acid can also participate in polymerization reactions due to the presence of the carbon - carbon double bond.A double carbon-carbon bond in 4 - pyridineacrylic acids can also participate to polymerization reactions. It can be incorporated into polymers, either alone or in combination with other monomers, to create materials with specific properties such as improved solubility, bioactivity, or mechanical properties depending on the application requirements.It can be used to create polymers either alone or with other monomers.
How is 4-Pyridineacrylic acid synthesized?
4 - Pyridineacrylic acid can be synthesized through several methods.The synthesis of pyridineacrylic acid is possible by several methods. One common approach is via a Knoevenagel condensation reaction.One common method is to use a Knoevenagel reaction.
In this method, pyridine - 4 - carbaldehyde is used as a starting material.This method uses pyridine- 4-carbaldehyde as a starting substance. It reacts with malonic acid in the presence of a base catalyst.It reacts with the malonic acid in presence of a catalyst. The base typically used can be a weak organic base like piperidine.The base is usually a weak organic acid like piperidine. The reaction occurs in a suitable solvent, often pyridine itself or an alcohol such as ethanol.The reaction takes place in a suitable solvant, usually pyridine or an alcohol like ethanol.
The reaction mechanism begins with the deprotonation of malonic acid by the base.The reaction begins with the deprotonation by the base of malonic acid. The resulting enolate anion then attacks the carbonyl carbon of pyridine - 4 - carbaldehyde.The enolate anion that results attacks the carbonyl atom of pyridine-4-carbaldehyde. This forms an intermediate.This forms an intermediary. Subsequently, a series of proton transfers and elimination steps take place.Then, a series proton transfer and elimination steps are performed. The elimination of a molecule of carbon dioxide leads to the formation of 4 - pyridineacrylic acid.The formation of 4-pyridineacrylic Acid is caused by the elimination of a carbon dioxide molecule.
Another method could involve the use of Wittig - type reactions.A second method would be to use Wittig-type reactions. Here, a phosphonium ylide is prepared first.First, a phosphonium-ylide is made. For example, triphenylphosphine is reacted with an appropriate alkyl halide, which can then be deprotonated to form the ylide.Triphenylphosphine, for example, can be reacted with a suitable alkyl chloride, and then deprotonated in order to form the ylide. The ylide is then reacted with pyridine - 4 - carbaldehyde.The ylide then reacts with pyridine-4-carbaldehyde. The reaction between the ylide and the aldehyde results in the formation of a betaine intermediate.The reaction between the aldehyde and the ylide results in a betaine intermediate. Through a [2,3] - sigmatropic rearrangement and subsequent elimination, 4 - pyridineacrylic acid is obtained.By a [2,3]-sigmatropic rearrangement followed by an elimination, 4 – pyridineacrylic is obtained.
The reaction conditions need to be carefully controlled.The reaction conditions must be carefully monitored. For the Knoevenagel condensation, the reaction temperature is usually in the range of 80 - 120 degC, depending on the solvent and reactant concentrations.The reaction temperature for the Knoevenagel condensate is typically between 80 and 120 degC depending on the concentrations of solvent and reactant. The reaction time can vary from a few hours to overnight, depending on the efficiency of the reaction.The reaction time varies from a few minutes to overnight depending on the efficiency. In the Wittig - type reaction, the reaction is often carried out in an aprotic solvent like dimethylformamide (DMF) or tetrahydrofuran (THF) at a relatively lower temperature, around room temperature to 50 degC.In the Wittig-type reaction, the reaction can be carried out at a lower temperature (around room temperature to 50 degrees Celsius) in an aprotic solution like dimethylformamide or tetrahydrofuran.
After the reaction is complete, the product can be isolated through various purification techniques.Various purification techniques can be used to isolate the product after the reaction has been completed. One common method is recrystallization, where the crude product is dissolved in a suitable hot solvent and then allowed to cool slowly, causing the pure 4 - pyridineacrylic acid to crystallize out.Recrystallization is a common technique. The crude product is dissolved into a hot solvent, and then allowed cool slowly. This causes the pure 4 -pyridineacrylic to crystallize. Column chromatography can also be used for further purification if the product contains impurities that are difficult to separate by recrystallization.If the product contains impurities which are difficult to separate using recrystallization, column chromatography is a good option for further purification.
What are the safety precautions when handling 4-Pyridineacrylic acid?
4 - Pyridineacrylic acid is a chemical compound, and when handling it, several safety precautions should be observed.When handling pyridineacrylic acid, it is important to observe several safety precautions.
First, in terms of personal protective equipment.Personal protective equipment is the first thing to consider. Wear appropriate protective clothing, such as long - sleeved laboratory coats, to prevent skin contact.Wear protective clothing such as long-sleeved lab coats to avoid skin contact. Chemical - resistant gloves are also essential.Chemical-resistant gloves are also necessary. Nitrile gloves are often a good choice as they can provide a barrier against many chemicals, reducing the risk of skin absorption or irritation that could potentially be caused by 4 - pyridineacrylic acid.Nitrile gloves can be a good option as they provide a barrier to many chemicals and reduce the risk of skin irritation or absorption that could be caused by 4 – pyridineacrylic acids. Additionally, safety goggles or a face shield should be worn to protect the eyes from any splashes.Safety goggles or face shields should also be worn to protect eyes from any splashes. Chemicals getting into the eyes can cause serious damage, including burns and vision impairment.Chemicals that get into the eyes can cause serious injuries, including vision impairment and burns.
Secondly, ensure proper ventilation. Work in a well - ventilated area, preferably a fume hood if available.Work in an area that is well-ventilated, and preferably with a fume hood. 4 - pyridineacrylic acid may emit fumes or vapors that could be harmful if inhaled.Inhaling fumes and vapors from 4 - pyridineacrylic acids can be harmful. A fume hood effectively captures and exhausts these potentially hazardous substances, maintaining a clean and safe breathing environment.A fume hood captures and exhausts these potentially dangerous substances, ensuring a clean and safe environment. If working in an area without a fume hood, make sure the general room ventilation is sufficient to disperse any released vapors.If you are working in a room without a fume-hood, ensure that the ventilation is adequate to disperse any vapors released.
When handling the substance, be careful with the containers.Be careful when handling the container. Ensure they are tightly sealed when not in use to prevent spills and evaporation.When not in use, ensure that the containers are tightly closed to prevent spills or evaporation. When transferring 4 - pyridineacrylic acid, use appropriate funnels and pouring aids to avoid spills.Use appropriate funnels and pouring tools to prevent spills when transferring 4 -pyridineacrylic acids. In case of a spill, have a spill - cleanup kit readily available.Prepare a spill-cleanup kit in case of spillage. First, evacuate the area to prevent others from being exposed.To prevent exposure to others, first evacuate the area. Then, depending on the nature of the spill, use absorbent materials to clean it up.Depending on the nature and extent of the spill, you can use absorbent materials for cleaning. Dispose of the contaminated absorbents properly according to local regulations.Dispose the contaminated absorbents according to local regulations.
Finally, be aware of the potential reactivity of 4 - pyridineacrylic acid.Be aware of the potential for reactivity with 4 - pyridineacrylic acids. Avoid contact with strong oxidizing agents, reducing agents, and other chemicals that may react violently with it.Avoid contact with strong oxidizing, reducing, and other chemicals which may react violently. Read the safety data sheet thoroughly before handling to understand all possible hazards and appropriate safety measures.Before handling, read the safety data sheet to fully understand all hazards and safety measures. If any accidental exposure occurs, whether it is skin contact, eye contact, or inhalation, follow the first - aid procedures specified on the safety data sheet immediately.Follow the safety data sheet's first-aid procedures immediately if any accidental exposure occurs. This includes skin contact, eye contacts, or inhalation. For skin contact, wash the affected area with plenty of water for a sufficient amount of time.If skin contact occurs, wash the area thoroughly with water for an adequate amount of time. In case of eye contact, rinse the eyes continuously with running water and seek medical attention promptly.If you have eye contact, wash your eyes with running water continuously and seek medical attention immediately.