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3-imidazol-4-ylacrylic Acid


Properties
Product Name 3-Imidazol-4-ylacrylic acid
Cas Number 17773-80-7
Formula C6H6N2O2
Molar Mass 138.12
Melting Point 223-225°C
Appearance White to off-white solid
Solubility Soluble in water
Boiling Point Decomposes before boiling
Density Not available
Pka 5.00
Uv Vis Absorbance Max at 280 nm
Stability Stable under recommended conditions
Storage Conditions Store in a cool, dry place
Vapor Pressure Negligible
Flash Point Not applicable
FAQ

What is the chemical structure of 3-imidazol-4-ylacrylic acid?

3 -imidazol - 4 -ylacrylic acid is an organic compound.Organic compound 3 -imidazol- 4-ylacrylic Acid.
The core part of its chemical structure contains an imidazole ring.The core of its chemical structure is an imidazole. The imidazole ring is a five - membered heterocyclic ring with two nitrogen atoms in the ring.The imidazole is a five-membered heterocyclic chain with two nitrogen atoms. One of the nitrogen atoms is part of a pyrrole - like structure where the nitrogen contributes one electron to the aromatic p - system, and the other nitrogen is in an imine - like form, contributing two electrons to the aromatic system.The nitrogen atoms are arranged in a pyrrole-like structure, where the nitrogen contributes an electron to the aromatic P-system, and the other nitrogen atom is arranged in imine-like form, which contributes two electrons to aromatic system. This makes the imidazole ring aromatic, which confers certain stability and reactivity characteristics.This aromaticity confers stability and reactivity to the imidazole rings.

Attached to the 4 - position of the imidazole ring is an acrylic acid moiety.The acrylic acid moiety is attached to the 4 – position of the imidazole rings. The acrylic acid part consists of a vinyl group (-CH=CH -) connected to a carboxylic acid group (-COOH).The acrylic acid is composed of a vinyl group, (-CH=CH-), connected to a carboxylic group (-COOH). The vinyl group has a carbon - carbon double bond, which is a site of high reactivity.The vinyl group contains a double carbon-carbon bond which is a highly reactive site. It can participate in addition reactions, such as electrophilic addition reactions with reagents like bromine or hydrogen halides.It can be used in addition reactions such as electrophilic reactions with reagents such as bromine or hydrogen chlorides. The double bond also makes the molecule potentially polymerizable under appropriate conditions.The double bond makes the molecule polymerizable in certain conditions.

The carboxylic acid group (-COOH) is another important functional group in 3 -imidazol - 4 -ylacrylic acid.The carboxylic group (-COOH), is another important functional group found in 3 imidazol-4 ylacrylic acids. It can undergo typical carboxylic acid reactions.It can undergo typical carboxylic acids reactions. For example, it can react with bases to form carboxylate salts, and it can also participate in esterification reactions with alcohols in the presence of an acid catalyst to form esters.It can, for example, react with bases to produce carboxylate salts and can also participate in esterification reaction with alcohols when an acid catalyst is present.

Overall, the combination of the imidazole ring and the acrylic acid moiety in 3 -imidazol - 4 -ylacrylic acid results in a molecule with diverse chemical reactivity.Overall, the combination between the imidazole moiety and the acrylic acid ring in 3 -imidazol- 4 'ylacrylic acids results in a molecule that has diverse chemical reactivity. The imidazole ring can act as a nucleophile in some reactions due to the lone pairs on the nitrogen atoms, while the acrylic acid part offers reactivity from the double bond and the carboxylic acid group.The imidazole can act as a nucleophile due to the lone pair on the nitrogen atoms. While the acrylic acid part provides reactivity through the double bond and carboxylic acid groups. This structure can potentially be used in various fields such as organic synthesis, drug design, and materials science.This structure could be used in many fields, including organic synthesis, drugs design, and materials sciences. In drug design, the imidazole ring is often found in many bioactive compounds due to its ability to interact with biological targets through hydrogen bonding and other non - covalent interactions, and the carboxylic acid group can also participate in interactions with proteins or enzymes in the body.In drug design, imidazole rings are often found in bioactive compounds because they can interact with biological targets via hydrogen bonds and other non-covalent interactions. The carboxylic acid groups can also interact with proteins or enzymes within the body. In materials science, the polymerizable nature of the vinyl group could be exploited to create new polymeric materials with unique properties.In materials science, it is possible to use the polymerizable vinyl group to create polymeric materials that have unique properties.

What are the applications of 3-imidazol-4-ylacrylic acid?

3 - Imidazol - 4 - ylacrylic acid is a compound with several potential applications.3 - Imidazol- 4- ylacrylic Acid is a compound that has several potential uses.
One area of application is in the field of pharmaceuticals.Pharmaceuticals is one area of application. Compounds containing the imidazole ring often exhibit biological activities.Compounds with the imidazole rings often have biological activities. 3 - Imidazol - 4 - ylacrylic acid can potentially serve as a key building block for the synthesis of novel drugs.3 - Imidazol- 4 – ylacrylic acids can serve as a building block for the synthesizing of novel drugs. Its unique structure might interact with specific biological targets in the human body.Its unique structure could interact with specific biological targets within the human body. For example, it could be used to develop drugs that target certain enzymes or receptors involved in disease - related pathways.It could be used, for example, to develop drugs that target specific enzymes or receptors in disease-related pathways. It may have anti - inflammatory properties.It may have anti-inflammatory properties. By interacting with proteins involved in the inflammatory cascade, it could potentially be developed into a drug to treat conditions such as arthritis or other inflammatory disorders.It could be developed as a drug that treats conditions like arthritis or other inflammatory disorders by interacting with proteins in the inflammatory cascade.

In the area of organic synthesis, 3 - Imidazol - 4 - ylacrylic acid is a valuable intermediate.In the field of organic synthesis, 3-Imidazol-4-ylacrylic is a valuable intermediary. Its double bond and the imidazole moiety provide reactive sites for further chemical reactions.Its double-bond and imidazole moiety are reactive sites that can be used for other chemical reactions. Chemists can use it to create more complex organic molecules.Chemists use it to create complex organic molecules. For instance, through reactions like Diels - Alder reactions or Michael additions, the double bond can be functionalized.The double bond can be functionalized, for example, by using reactions such as Diels-Alder reactions or Michael addenda. The imidazole ring can participate in nucleophilic substitution reactions, enabling the attachment of various functional groups.The imidazole rings can be involved in nucleophilic substitute reactions, allowing the attachment of different functional groups. This allows for the synthesis of a wide range of organic compounds with potential applications in materials science, agrochemicals, and other fields.This allows the synthesis of many organic compounds that have potential applications in materials, agrochemicals and other fields.

In materials science, derivatives of 3 - Imidazol - 4 - ylacrylic acid could potentially be used to create new polymers.In materials science, derivatives from 3 - Imidazol- 4 - ylacrylic acids could be used to make new polymers. The imidazole group can contribute to the formation of cross - links in polymer networks, enhancing the mechanical and thermal properties of the polymers.The imidazole can be used to form cross-links in polymer networks that enhance the mechanical and thermal properties. These polymers might find use in coatings, where they can provide better adhesion, durability, and chemical resistance.These polymers could be used in coatings to improve adhesion, durability and chemical resistance. Additionally, the unique structure of the compound could potentially endow polymers with specific functional properties, such as the ability to interact with certain substances or respond to environmental stimuli.The unique structure of the compound may also endow polymers specific functional properties such as the ability for them to interact with certain substances, or respond to environmental stimuli.

Furthermore, in the field of coordination chemistry, 3 - Imidazol - 4 - ylacrylic acid can act as a ligand.In the field of coordination, 3 - Imidazol- 4 – ylacrylic can also act as a chemical ligand. The nitrogen atoms in the imidazole ring have lone pairs of electrons that can coordinate with metal ions.The nitrogen atoms of the imidazole have electron pairs that can coordinate with metallic ions. This can lead to the formation of metal - organic complexes.This can lead the formation of metal-organic complexes. These complexes may have interesting catalytic properties.These complexes could have interesting catalytic characteristics. They could be used as catalysts in various chemical reactions, such as oxidation or reduction reactions, due to the synergistic effects between the metal ion and the ligand.Due to the synergistic effect between the metal ion, and the ligand, they could be used as catalysts for various chemical reactions such as oxidation, or reduction. They may also exhibit unique optical or magnetic properties, which could be exploited in applications such as sensors or magnetic materials.They may also have unique optical or magnet properties that could be exploited for applications such as magnetic materials or sensors.

What are the properties of 3-imidazol-4-ylacrylic acid?

3 - imidazol - 4 - ylacrylic acid is a compound with several notable properties.This compound has several notable properties.
1. Chemical Structure - related PropertiesChemical Structure and Related Properties
The presence of the imidazole ring in 3 - imidazol - 4 - ylacrylic acid imparts certain characteristics.The presence of an imidazole in 3 - imidazol-4 - ylacrylic acids confers certain characteristics. The imidazole ring is a heterocyclic aromatic structure with two nitrogen atoms.The imidazole is a heterocyclic structure with two nitrogen-atoms. This aromaticity contributes to the compound's stability.This aromaticity is a factor in the stability of the compound. The double bond in the acrylic acid part of the molecule is reactive.The double bond of the acrylic acid molecule is reactive. It can participate in addition reactions, such as electrophilic addition reactions.It can participate in electrophilic additions and other addition reactions. For example, it can react with bromine in an electrophilic addition reaction across the double bond, adding two bromine atoms to the molecule.It can, for example, react with bromine to add two bromine atoms across the double bond in an electrophilic reaction.

The carboxylic acid group (-COOH) in 3 - imidazol - 4 - ylacrylic acid gives it acidic properties.The carboxylic group (-COOH), in 3 – imidazol-4 – ylacrylic acids, gives it its acidic properties. It can donate a proton (H+) in an aqueous solution, following the general acid - base reaction pattern: R - COOH = R - COO-+ H+.It can donate a proton (H+) to an aqueous sytem, following the general acid-base reaction pattern: R-COOH = R-COO-+ H+. The pKa value of the carboxylic acid group determines its acidity strength.The acidity of a carboxylic acid is determined by its pKa value. In the case of this compound, the adjacent imidazole ring can influence the pKa.In this compound, the imidazole ring adjacent to it can influence the pKa. The electron - withdrawing or donating effects of the imidazole ring can either stabilize or destabilize the carboxylate anion (R - COO-), thus affecting the ease of proton donation.The electron-donating or withdrawing effects of the imidazole can either stabilize or destroy the carboxylate anion (R-COO-), affecting the ease of protons donation.

2. Physical PropertiesPhysical Properties
In terms of solubility, 3 - imidazol - 4 - ylacrylic acid is likely to have some solubility in polar solvents.In terms of solubility 3 - imidazol 4 - ylacrylic acids is likely to be soluble in polar solvents. The carboxylic acid group can form hydrogen bonds with water molecules, which promotes solubility in water to a certain extent.The carboxylic group can form hydrogen bond with water molecules which promotes water solubility to a certain degree. However, the presence of the relatively non - polar imidazole ring restricts its solubility.The presence of the non-polar imidazole rings, however, limits its solubility. It may be more soluble in alcohols like methanol or ethanol, which can also form hydrogen bonds with the carboxylic acid group and have better solvating ability for the overall molecule due to their intermediate polarity.It may be more solubilized in alcohols such as methanol orethanol. These alcohols can also form hydrogen bond with the carboxylic acids and have a better solvating capability for the overall molecule because of their intermediate polarity.

The compound may exist as a solid at room temperature.The compound can exist as a solid even at room temperature. Its melting point is determined by the strength of the intermolecular forces.The strength of the intermolecular force determines its melting point. The carboxylic acid groups can form hydrogen - bonded dimers or polymers in the solid state, which contribute to the relatively high melting point.In the solid state the carboxylic acid groups may form hydrogen-bonded dimers or monomers, which contributes to the relatively higher melting point. The intermolecular forces also include van der Waals forces between the non - polar parts of the molecules, such as the imidazole ring.Van der Waals forces are also present between non-polar parts of molecules, like the imidazole rings.

3. Biological and Pharmaceutical RelevanceRelevance of Biological and Pharmaceutical Relevance
Compounds containing imidazole rings often show biological activities.Compounds with imidazole rings show biological activity. Imidazole - based compounds can interact with biological macromolecules like proteins.Imidazole-based compounds can interact biological macromolecules such as proteins. For 3 - imidazol - 4 - ylacrylic acid, it may potentially bind to specific proteins through hydrogen bonding or other non - covalent interactions.It is possible that 3 - imidazol- 4 ylacrylic acids can bind to certain proteins via hydrogen bonding, or through other non-covalent interactions. The carboxylic acid group can also be involved in forming salt bridges or hydrogen bonds with amino acid residues in proteins.The carboxylic group can also form salt bridges or hydrogen bonding with amino acid residues within proteins. This makes it a potential lead compound in drug discovery.This makes it an ideal lead compound for drug discovery. It may have anti - inflammatory, antibacterial, or other bioactive properties, although these would need to be experimentally verified through in - vitro and in - vivo studies.It may have anti-inflammatory, antibacterial or other bioactive qualities, but these would need experimental verification through in – vitro and in- vivo tests.

How is 3-imidazol-4-ylacrylic acid synthesized?

3 - imidazol - 4 - ylacrylic acid can be synthesized through several methods.There are several ways to synthesize 3 - imidazol 4 - ylacrylic acids. One common approach involves starting from imidazole derivatives.One common method is to start with imidazole derivatives.
First, imidazole is reacted with an appropriate aldehyde.First, imidazole reacts with an aldehyde. For example, glyoxal can be used.Glyoxal, for example, can be used. In the presence of a suitable base, such as sodium hydroxide or potassium carbonate, an aldol - type condensation reaction occurs.In the presence a suitable base such as potassium carbonate or sodium hydroxide, an aldol-type condensation reaction occurs. The imidazole ring acts as a nucleophile at the appropriate position, attacking the carbonyl group of the aldehyde.The imidazole rings act as nucleophiles at the correct position and attack the carbonyl groups of the aldehyde. This results in the formation of an intermediate with a hydroxyl group adjacent to the imidazole ring.This results in an intermediate with an hydroxyl group next to the imidazole.

Subsequently, this intermediate undergoes a dehydration reaction.This intermediate is then subjected to a dehydration process. Dehydration can be achieved by heating the reaction mixture in the presence of an acid catalyst, like sulfuric acid or p - toluenesulfonic acid.Dehydration is achieved by heating a reaction mixture in presence of an acid catalyst, such as sulfuric acid or the p-toluenesulfonic acids. The elimination of a water molecule leads to the formation of the double bond, giving rise to 3 - imidazol - 4 - ylacrylic acid.The formation of a double bond is caused by the elimination of water molecules. This gives rise to 3 – imidazol-4 – ylacrylic acids.

Another possible route might start from imidazole - 4 - carboxaldehyde.A second possible route could start with imidazole-4-carboxaldehyde. This aldehyde can react with a compound containing a reactive methylene group, such as malonic acid, in the presence of a basic catalyst.This aldehyde reacts with a compound that contains a reactive methylene, such as malonic acids, in the presence a basic catalyser. The base deprotonates the reactive methylene group of malonic acid, which then attacks the carbonyl carbon of the imidazole - 4 - carboxaldehyde.The base deprotonates malonic acid's reactive methylene group, which attacks the carbonyl atom of the imidazole-4-carboxaldehyde. After the initial addition, a series of reactions including decarboxylation occur.A series of reactions, including decarboxylation, occur after the initial addition. Heating the reaction mixture promotes the decarboxylation step, where one of the carboxyl groups of the intermediate derived from malonic acid is lost as carbon dioxide.The decarboxylation is accelerated by heating the reaction mixture. One of the carboxyl group of the intermediate derived form malonic acid will be lost as carbon dioxide. This process ultimately leads to the formation of 3 - imidazol - 4 - ylacrylic acid.This process leads to the formation 3 - imidazol-4 - ylacrylic acids.

In the synthesis, careful control of reaction conditions such as temperature, reaction time, and the stoichiometry of reactants is crucial.In the synthesis it is important to control the reaction conditions, such as temperature, time of reaction, and stoichiometry. For instance, the temperature during the dehydration step should be carefully monitored to avoid over - reaction or decomposition of the product.For example, the temperature should be monitored during the dehydration process to avoid over-reaction or decomposition. Also, purification steps are essential after the synthesis.Purification steps are also essential after the synthesis. Common purification methods include recrystallization from appropriate solvents like ethanol - water mixtures or column chromatography using silica gel as the stationary phase to obtain pure 3 - imidazol - 4 - ylacrylic acid.Purification methods include column chromatography with silica gel or recrystallization using appropriate solvents such as ethanol-water mixtures.

What are the safety hazards associated with 3-imidazol-4-ylacrylic acid?

3 - imidazol - 4 - ylacrylic acid is a chemical compound.A chemical compound is 3 - imidazol 4 - ylacrylic acids. When considering its safety hazards, several aspects need to be taken into account.In order to assess its safety hazards, it is important to consider several factors.
First, in terms of health hazards, it may pose risks to the respiratory system.In terms of health risks, it can pose a risk to the respiratory system. Inhalation of dust or vapors containing this compound could potentially irritate the nose, throat, and lungs.Inhaling dust or vapors that contain this compound may cause irritation to the nose, throat and lungs. Prolonged or high - level inhalation might lead to more serious respiratory problems such as coughing, shortness of breath, and in severe cases, it could cause damage to the lung tissue.Inhalation of high levels or prolonged dust could lead to respiratory problems, such as coughing and shortness breath. In severe cases, lung tissue can be damaged.

Skin contact is another concern.Another concern is skin contact. It may cause skin irritation.It can cause skin irritation. If the compound comes into contact with the skin, it could lead to redness, itching, and a burning sensation.It could cause skin irritation, redness, itchiness, and a burning feeling if the compound is in contact with the body. In some individuals with more sensitive skin, it might even trigger an allergic reaction, which could be manifested as rashes, swelling, or blistering.Some individuals with sensitive skin may experience an allergic reaction that manifests as rashes or swelling.

Eye contact is also dangerous.Contact with the eyes is also dangerous. Contact with the eyes can cause significant irritation, redness, and pain.Contact with the eye can cause irritation, pain, and redness. It may even lead to more serious eye damage if not promptly and properly treated.If not treated promptly and properly, it can even cause more serious eye damage. In severe cases, it could potentially affect vision.In severe cases, the condition could affect vision.

From an environmental perspective, if 3 - imidazol - 4 - ylacrylic acid is released into the environment, it may have an impact on aquatic life.If 3 - imidazol 4 - ylacrylic acids is released in the environment, this could have an impact on aquatic animals. It could be toxic to fish, invertebrates, and other organisms in water bodies.It could be toxic for fish, invertebrates and other organisms living in water bodies. The compound might also accumulate in the environment over time, potentially disrupting the ecological balance.The compound could also accumulate in the ecosystem over time, disrupting the ecological equilibrium.

In addition, in a laboratory or industrial setting, improper handling of 3 - imidazol - 4 - ylacrylic acid can lead to chemical spills.In a laboratory setting or an industrial setting, improper handling can also lead to chemical spills. These spills can contaminate the work area, and if not cleaned up properly, they can spread the potential hazards to a larger area.These spills may contaminate the area and, if not cleaned properly, spread the potential hazards. There is also a risk of fire or explosion if the compound is present in a concentrated form and comes into contact with ignition sources, although this is likely to be a relatively rare scenario compared to the health - related hazards.The compound can also cause a fire or explosion when it is in concentrated form and comes in contact with ignition sources. However, this is a rare occurrence compared to health-related hazards.

To mitigate these risks, proper safety procedures should be followed.To minimize these risks, it is important to follow the correct safety procedures. When handling the compound, appropriate personal protective equipment such as gloves, safety glasses, and respiratory protection should be worn.Wearing protective gear such as safety glasses, gloves, and respiratory equipment is essential when handling the compound. In case of spills, there should be a well - defined spill - response plan in place to clean up the chemical safely and prevent further spread of the hazards.If there is a spill, a spill response plan should be in place. This will allow the chemical to be cleaned up safely and prevent the spread of hazards.