.
Product Name | trans-3-(3'-Pyridyl)acrylic acid |
Cas Number | 5388-12-5 |
Formula | C8H7NO2 |
Molar Mass | 149.15 g/mol |
Property 1 | Melting Point: 192-194°C |
Property 2 | Solubility in Water: Slightly soluble |
Property 3 | Appearance: White to off-white solid |
Property 4 | Boiling Point: Not available |
Property 5 | Density: Not available |
Property 6 | pKa: Not available |
Property 7 | Refractive Index: Not available |
Property 8 | Vapor Pressure: Not available |
Property 9 | Flash Point: Not available |
Property 10 | LogP: Not available |
What are the main applications of trans-3-(3'-Pyridyl)acrylic acid?
Trans - 3-(3'-Pyridyl)acrylic acid has several important applications.
In the field of pharmaceuticals, it can serve as a key intermediate in the synthesis of various bioactive compounds.It can be used as an intermediate in the pharmaceutical industry to synthesize bioactive compounds. Its unique chemical structure, with the pyridyl group and the acrylic acid moiety, provides a platform for the development of drugs targeting specific biological pathways.Its unique chemistry, with its pyridyl moiety and acrylic acid group, allows for the development of drugs that target specific biological pathways. For example, some derivatives of trans - 3-(3'-Pyridyl)acrylic acid may exhibit anti - inflammatory properties. The pyridyl ring can interact with specific receptors or enzymes in the body, while the acrylic acid part can participate in chemical reactions to form more complex structures with enhanced bioactivity.The pyridyl part can interact with specific enzymes or receptors in the body while the acrylic acid can participate in chemical reaction to form more complex and bioactive structures. It may also be involved in the synthesis of drugs for treating neurological disorders.It could also be used in the synthesis and treatment of neurological disorders. The interaction of the molecule with neurotransmitter - related receptors can be explored, potentially leading to the development of novel therapeutics.The interaction between the molecule and neurotransmitter-related receptors can be explored. This could lead to the development of new therapeutics.
In the area of materials science, this compound can be used in the preparation of functional polymers.This compound can be used to prepare functional polymers in the field of materials science. By copolymerizing trans - 3-(3'-Pyridyl)acrylic acid with other monomers, polymers with tailored properties can be obtained. The pyridyl group can act as a coordination site, enabling the polymer to bind to metal ions.The pyridyl can act as a coordination group, allowing the polymer to bond to metal ions. This property can be exploited in applications such as sensors.This property can be used in applications like sensors. For instance, a polymer containing trans - 3-(3'-Pyridyl)acrylic acid units can be designed to selectively bind to certain metal ions, and the resulting change in the polymer's physical or optical properties can be used to detect the presence and concentration of these metal ions. Additionally, the acrylic acid part can participate in polymerization reactions, allowing for the formation of cross - linked polymers with enhanced mechanical and chemical stability.The acrylic acid component can also participate in polymerization, allowing the formation of cross-linked polymers with enhanced chemical and mechanical stability.
In the realm of organic synthesis, trans - 3-(3'-Pyridyl)acrylic acid is a valuable building block. It can undergo a variety of reactions such as esterification, amide formation, and cycloaddition reactions.It can undergo many reactions, including esterification, amide production, and cycloaddition. Esterification of the acrylic acid group can lead to the production of esters with different alkyl chains, which may have applications in the fragrance and flavor industry.The esterification of acrylic acid can lead to esters with various alkyl chains that may be used in the fragrance and flavor industries. The amide formation can create compounds with diverse biological and chemical properties.The amide formation creates compounds with diverse chemical and biological properties. Cycloaddition reactions, like Diels - Alder reactions, can be used to build more complex cyclic structures, expanding the scope of organic compounds that can be synthesized starting from trans - 3-(3'-Pyridyl)acrylic acid. Overall, its applications span multiple scientific and industrial fields, making it a compound of significant interest.Its applications are diverse, spanning many scientific and industrial fields.
What are the properties of trans-3-(3'-Pyridyl)acrylic acid?
Trans - 3-(3'-Pyridyl)acrylic acid is an organic compound with several notable properties.
Physical properties:Physical Properties
1. Appearance: It typically exists as a solid.Appearance: It is usually a solid. Solids in this class often have well - defined crystalline structures which can be determined through techniques like X - ray crystallography.Solids of this class have well-defined crystalline structures that can be determined using techniques such as X-ray crystallography.
2. Melting point: The melting point of trans - 3-(3'-Pyridyl)acrylic acid is an important physical characteristic. A specific melting point range helps in identifying the compound and also gives an indication of its purity.A specific melting range helps identify the compound and gives an indication of purity. Higher purity substances usually have a more narrow melting point range.The melting point range of higher purity substances is usually narrower.
3. Solubility: Its solubility depends on the nature of the solvent.Its solubility is dependent on the solvent. In polar solvents like water, it may have limited solubility due to the presence of both the relatively non - polar pyridyl and hydrocarbon - like acrylic acid parts.It may be difficult to dissolve in polar solvents such as water due to the presence both of the non-polar pyridyl, and hydrocarbon-like parts like acrylic acid. However, it may show better solubility in organic solvents such as ethanol, methanol, or dimethylformamide (DMF).It may be more soluble in organic solvents like ethanol, dimethylformamide, or methanol. The polar functional groups in these solvents can interact with the carboxylic acid and pyridyl groups of the compound through hydrogen bonding and dipole - dipole interactions.These solvents have polar functional groups that can interact with carboxylic acids and pyridyls in the compound via hydrogen bonding or dipole-dipole interactions.
Chemical properties:Chemical properties
1. Acid - base properties: The carboxylic acid group (-COOH) in trans - 3-(3'-Pyridyl)acrylic acid imparts acidic properties. It can donate a proton in the presence of a base.It can donate a proton in the presence a base. For example, in an aqueous solution, it can react with hydroxide ions (OH -) to form the corresponding carboxylate anion and water.In an aqueous solvent, it can react, for example, with hydroxide (OH-) ions to form the carboxylate anion. The pKa value of the carboxylic acid group is an important parameter that quantifies its acidity.The pKa of the carboxylic group is a parameter that quantifies acidity. A lower pKa value indicates a stronger acid.A lower pKa indicates a stronger acid.
2. Reactivity of the double bond: The carbon - carbon double bond in the acrylic acid part of the molecule is a site of high reactivity.Double bond reactivity: The double bond carbon-carbon in the acrylic acid portion of the molecule has a high level of reactivity. It can undergo addition reactions.It can undergo addition reaction. For instance, it can react with hydrogen in the presence of a catalyst (such as palladium on carbon) in a hydrogenation reaction to convert the double bond into a single bond.It can, for example, react with hydrogen (in the presence of a catalyser such as palladium on Carbon) in a hydrogenation reaction to transform the double bond into a one-bond. It can also react with electrophiles in electrophilic addition reactions.It can also be used in electrophilic reactions. For example, bromine can add across the double bond to form a dibromo - derivative.Bromine, for example, can add across a double bond to produce a dibromo-derivative.
3. Reactivity of the pyridyl group: The pyridyl group has a nitrogen atom with a lone pair of electrons.Reactivity of pyridyl groups: The pyridyl groups have a nitrogen atom that has a single pair of electrons. This makes it basic to some extent.This makes it basic in a certain degree. It can participate in reactions where it acts as a nucleophile, for example, in reactions with alkyl halides to form N - alkylated products.It can be used in reactions as a nucleophile. For example, it can be used in reactions with alkyl chlorides to form N-alkylated products. Additionally, the pyridyl group can also be involved in coordination chemistry, acting as a ligand to bind to metal ions due to the availability of the lone pair on nitrogen.The pyridyl groups can also be used in coordination chemistry as a ligand for metal ions, due to the availability on the nitrogen of the lone pairs.
4. Polymerization potential: Due to the presence of the double bond, trans - 3-(3'-Pyridyl)acrylic acid has the potential to undergo polymerization reactions. It can form polymers either by itself (homopolymerization) or with other monomers (copolymerization).It can either form polymers by itself (homopolymerization), or with other monomers. These polymers may have unique properties depending on the reaction conditions and the nature of other monomers involved, and can find applications in various fields such as coatings, adhesives, and drug delivery systems.These polymers can have unique properties depending upon the reaction conditions, the other monomers involved and their nature. They can be used in many fields, including coatings, adhesives and drug delivery systems.
How is trans-3-(3'-Pyridyl)acrylic acid synthesized?
Trans - 3 - (3 - Pyridyl)acrylic acid can be synthesized through the following general approach.The following general approach can be used to synthesize trans - 3 – (3 - Pyridyl-)acrylic acid.
One common method involves the Knoevenagel condensation reaction.Knoevenagel condensation is a common method. In this process, 3 - pyridinecarboxaldehyde and malonic acid are the key starting materials.
The reaction is usually carried out in the presence of a base catalyst.The reaction is carried out usually in the presence a base catalyst. A weak base like piperidine is often used.Piperidine, a weak base, is often used. Piperidine helps to deprotonate malonic acid, generating a reactive enolate anion.Piperidine is used to deprotonate the malonic acid and generate a reactive anion. The 3 - pyridinecarboxaldehyde contains a reactive carbonyl group. The enolate anion attacks the carbonyl carbon of 3 - pyridinecarboxaldehyde, forming an intermediate.
Subsequently, a series of proton transfers and elimination steps occur.A series of proton transfer and elimination steps follow. The elimination of a molecule of carbon dioxide from the intermediate is an important step in this reaction sequence.In this reaction sequence, the elimination of a carbon dioxide molecule from the intermediate is a crucial step. This elimination is thermodynamically favorable, driving the reaction forward.This elimination is thermodynamically advantageous, which drives the reaction forward. As a result, trans - 3 - (3 - Pyridyl)acrylic acid is formed.Trans - 3 – (3 - Pyridyl-)acrylic acid results.
The reaction is typically carried out in a suitable solvent.The reaction is usually carried out in an appropriate solvent. Solvents such as pyridine or ethanol can be used.Solvents like pyridine or alcohol can be used. Pyridine not only serves as a solvent but also participates in the reaction mechanism to some extent due to its basic nature.Pyridine is not only a solvent, but also plays a role in the reaction process to varying degrees due to its basic properties. Ethanol, on the other hand, provides a relatively mild reaction medium.Ethanol is a milder reaction medium.
After the reaction is complete, the product can be isolated and purified.After the reaction has been completed, the product may be isolated and purified. The crude product may contain unreacted starting materials, by - products, and the catalyst.The crude product can contain unreacted materials, by-products, and the catalyst. Purification can be achieved through methods like recrystallization.Purification can be achieved by using methods such as recrystallization. Recrystallization involves dissolving the crude product in a suitable hot solvent and then slowly cooling the solution.Recrystallization is achieved by dissolving the crude material in a suitable solvent at a high temperature and then cooling the solution slowly. As the solution cools, the trans - 3 - (3 - Pyridyl)acrylic acid crystallizes out, leaving behind most of the impurities in the solution.As the solution cools down, the trans- 3 – (3 – Pyridyl-acrylic acid crystallizes, leaving behind the majority of impurities. Filtration is then used to collect the pure crystals of the desired product.Filtration is used to collect pure crystals of desired product.
Another possible synthetic route could involve the use of Wittig - type reactions.Wittig-type reactions are another possible route. However, the Knoevenagel condensation is often preferred due to its relatively simple reaction conditions, availability of starting materials, and the ease of product isolation and purification.Knoevenagel condensations are preferred because of their relatively simple conditions, the availability of the starting materials, as well as the ease of isolation and purification. Overall, careful control of reaction conditions such as temperature, reaction time, and reagent stoichiometry is crucial to obtain high yields of trans - 3 - (3 - Pyridyl)acrylic acid.To obtain high yields, it is important to carefully control reaction conditions, such as temperature, time of reaction, and reagent ratio.
What is the stability of trans-3-(3'-Pyridyl)acrylic acid?
Trans - 3-(3'-Pyridyl)acrylic acid is a compound with certain stability characteristics.
In terms of chemical stability, its double bond and the conjugated system play important roles.The double bond and conjugated system are important in terms of chemical stability. The conjugated system formed by the double bond in the acrylic acid part and the pyridyl group can delocalize electrons.The conjugated system, formed by the double bonds in the acrylic acid and pyridyl groups, can delocalize the electrons. This electron delocalization generally contributes to the stability of the molecule.This delocalization of electrons generally contributes to a molecule's stability. The resonance effect helps distribute the electron density, making the compound less reactive towards some common chemical reactions that would otherwise target isolated double bonds or charged species.The resonance effect helps to distribute the electron density and makes the compound less reactive toward some common chemical reactions which would otherwise target isolated double-bonds or charged species.
However, like many organic compounds, it is not completely immune to degradation.It is not immune to degradation, however, as many organic compounds are. In the presence of strong oxidizing agents, the double bond can be oxidized.The double bond can be oxidized in the presence of strong oxygenating agents. Oxidants such as potassium permanganate or ozone can break the double bond, leading to the formation of various oxidation products.Double bonds can be broken by oxidants like potassium permanganate and ozone. The pyridyl ring, although relatively stable due to its aromatic nature, can also be attacked under extreme reaction conditions, for example, by strong electrophiles that can substitute the hydrogen atoms on the ring.The pyridyl rings, although relatively stable because of their aromatic nature, are also susceptible to attack under extreme conditions, such as by strong electrophiles who can substitute the hydrogen on the ring.
Regarding thermal stability, trans - 3-(3'-Pyridyl)acrylic acid can withstand moderate temperatures without significant decomposition. But as the temperature rises, the compound may start to undergo thermal degradation.As the temperature increases, the compound can begin to degrade. The breaking of chemical bonds can occur, and at high enough temperatures, it may decompose into smaller fragments.At high temperatures, chemical bonds may break and the compound can decompose. This thermal decomposition can be influenced by factors such as the presence of impurities.Impurities can influence the thermal decomposition. Impurities may act as catalysts or sites for preferential bond - breaking, lowering the temperature at which decomposition begins.Impurities can act as catalysts, or sites of preferential bond-breaking, lowering temperature at which decomposition starts.
In an environmental context, its stability can be affected by light.Light can affect its stability in an environmental context. Photochemical reactions can occur, especially if the compound absorbs light of appropriate wavelengths.Photochemical reactions may occur, particularly if the compound absorbs appropriate wavelengths of light. The energy from light can promote electronic transitions, which may lead to bond cleavage or rearrangement reactions.The energy of light can promote transitions that may lead to bond cleavages or rearrangement reactions. For instance, the double bond may isomerize under certain light conditions, converting the trans - isomer to the cis - isomer.Under certain light conditions, the double bond can isomerize, converting it from the trans-isomer to the isomer. This isomerization can change the physical and chemical properties of the compound.This isomerization may alter the chemical and physical properties of the compound. Overall, while trans - 3-(3'-Pyridyl)acrylic acid has some inherent stability due to its conjugated structure, it is still vulnerable to chemical, thermal, and photochemical processes under specific conditions.
Are there any safety hazards associated with trans-3-(3'-Pyridyl)acrylic acid?
Trans - 3 - (3'-Pyridyl)acrylic acid is a chemical compound.Chemically, Trans - 3- (3'-Pyridyl-)acrylic Acid is a compound. Regarding its safety hazards, it is important to note that while specific data may vary based on detailed toxicological studies, several general aspects can be considered.It is important to note, however, that specific data can vary depending on the results of detailed toxicological studies. However, there are several general aspects which can be considered.
In terms of health hazards, if this compound comes into contact with the skin, it may cause irritation.If this compound comes in contact with skin, it can cause irritation. Prolonged or repeated contact could potentially lead to more severe skin reactions.Contact that is prolonged or repeated could lead to more severe reactions. When it comes to the eyes, even a small amount getting into the eyes can cause significant irritation, redness, and discomfort.Even a small amount of the substance in the eyes can cause irritation, redness and discomfort. Inhalation of dust or vapors containing trans - 3 - (3'-Pyridyl)acrylic acid might also pose risks.Inhalation of dust containing trans- 3 – (3'-Pyridyl-acrylic acid could also be dangerous. It could irritate the respiratory tract, leading to symptoms such as coughing, shortness of breath, or a sore throat.It can irritate the respiratory system, causing symptoms such as coughing or shortness of breathe. If large amounts are inhaled, it may cause more serious respiratory problems.Inhaling large amounts can cause respiratory problems.
From an environmental perspective, its release into the environment should be avoided.It is important to avoid its release into the environment. It may have an impact on aquatic life.It could have an impact on aquatic organisms. Once in water bodies, it could potentially affect the survival, growth, and reproduction of various aquatic organisms.Once in water bodies it could affect the survival, growth and reproduction of aquatic organisms. Even in small concentrations, it might disrupt the delicate ecological balance of the aquatic ecosystem.Even in small concentrations it could disrupt the delicate ecosystem of the aquatic ecosystem.
Regarding fire and explosion hazards, while it is not typically thought of as highly flammable under normal conditions, like many organic compounds, it can burn if exposed to an ignition source in the presence of oxygen.While it is not considered to be highly flammable in normal conditions, as are many organic compounds, it will burn if it is exposed to an ignition source and oxygen. In a fire situation, it may release potentially harmful fumes and decomposition products, which could be a further risk to human health and the environment.In a fire, it can release harmful fumes or decomposition products that could pose a risk to the environment and human health.
Overall, when handling trans - 3 - (3'-Pyridyl)acrylic acid, appropriate safety measures should be taken.When handling trans - 3- (3'-Pyridyl-acrylic acid, it is important to take the appropriate safety precautions. This includes wearing personal protective equipment such as gloves, safety glasses, and respiratory protection if there is a risk of inhalation.Wearing protective equipment, such as safety glasses, gloves, and respiratory protection, if inhalation is a concern, is important. In case of any spills, proper cleanup procedures should be followed to prevent exposure to humans and the environment.To prevent exposure of humans and the environment, it is important to follow proper cleanup procedures in case of spills.