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Product Name | 4-Imidazoleacrylic acid |
Cas Number | 97964-10-0 |
Formula | C6H6N2O2 |
Molar Mass | 138.12 g/mol |
Property 1 | white to off-white powder |
Property 2 | melting_point of approximately 195-200 °C |
Property 3 | solubility in water: slightly soluble |
Property 4 | solubility in organic solvents: soluble in DMSO |
Property 5 | pKa approximately 4.5 |
Property 6 | logP -1.34 |
Property 7 | UV-visible absorption maxima around 250 nm |
Property 8 | density approximately 1.4 g/cm³ |
Property 9 | refractive_index not available |
Property 10 | boiling_point not available |
What is the chemical structure of 4-Imidazoleacrylic acid?
4 - Imidazoleacrylic acid, also known as 4 - (1H - imidazol - 4 - yl)acrylic acid.4 – Imidazoleacrylic Acid, also known by the name 4 – (1H – imidazol- 4 yl)acrylic Acid.
The chemical structure of 4 - Imidazoleacrylic acid is composed of two main parts: the imidazole ring and the acrylic acid moiety.The chemical structure of 4-Imidazoleacrylic Acid is composed of two major parts: the imidazole moiety and the imidazole rings.
The imidazole ring is a five - membered heterocyclic aromatic ring.The imidazole is a five-membered heterocyclic ring. It contains two nitrogen atoms and three carbon atoms.It contains two carbon atoms and one nitrogen atom. The nitrogen atoms are in positions 1 and 3 of the ring.The nitrogen atoms occupy positions 1 and 3. The ring has a planar structure due to the delocalization of p - electrons, which is characteristic of aromatic compounds.The ring is planar due to the delocalization p-electrons, which is characteristic for aromatic compounds. This delocalization imparts stability to the imidazole ring.This delocalization gives the imidazole rings stability.
Attached to the imidazole ring at the 4 - position (when numbered in the standard way for imidazole) is the acrylic acid part.Acrylic acid is attached to the imidazole at the 4th position (when numbering imidazole in the standard way). Acrylic acid has the structure CH2=CH - COOH.Acrylic acid is composed of CH2=CH-COOH. The double bond in acrylic acid is a site of high reactivity.The double bond of acrylic acid is highly reactive. It can participate in addition reactions, such as polymerization reactions.It can be involved in additional reactions, such a polymerization reaction. The carboxyl group (-COOH) in acrylic acid is also a reactive functional group.The carboxyl group in acrylic acid (-COOH), is also a functional group that is reactive. It can undergo acid - base reactions, forming salts with bases.It can undergo acid-base reactions, forming bases with salts. It can also participate in esterification reactions with alcohols to form esters.It can also be used in esterification reactions to form esters with alcohols.
In 4 - Imidazoleacrylic acid, the connection between the imidazole ring and the acrylic acid moiety occurs through a carbon - carbon bond at the 4 - position of the imidazole ring and one of the carbon atoms in the acrylic acid chain.In 4 – Imidazoleacrylic Acid, the connection between an imidazole moiety and the imidazole chain occurs via a carbon-carbon bond at the 4 position of the imidazole chain and one of its carbon atoms. This combination of the imidazole ring and acrylic acid results in a molecule with unique chemical and biological properties.This combination of acrylic acid and imidazole results in a unique molecule that has chemical and biological properties. The imidazole ring can interact with other molecules through hydrogen bonding, p - p stacking, or electrostatic interactions due to the presence of nitrogen atoms.The imidazole can interact with other molecule through hydrogen bonding or p-p stacking. It can also interact electrostatically due to the nitrogen atoms. The acrylic acid part, with its double bond and carboxyl group, can participate in a variety of chemical reactions, making 4 - Imidazoleacrylic acid useful in synthetic organic chemistry, as well as potentially having biological activities in fields such as drug discovery and material science.The acrylic acid, with its double-bond and carboxyl groups, can participate in many chemical reactions. This makes 4 - Imidazoleacrylic acids useful in synthetic organic chemistry as well as having biological activities such as drug discovery and materials science.
What are the applications of 4-Imidazoleacrylic acid?
4 - Imidazoleacrylic acid has several important applications.Imidazoleacrylic Acid has many important applications.
In the field of medicine, it can be used as an intermediate for the synthesis of certain drugs.It can be used in medicine as an intermediate to synthesize certain drugs. Its unique chemical structure allows it to participate in reactions that lead to the creation of bio - active compounds.Its unique chemistry allows it to take part in reactions that create bio-active compounds. For example, some anti - inflammatory drugs may utilize 4 - imidazoleacrylic acid in their synthetic pathways.Some anti-inflammatory drugs, for example, may use 4 - imidazoleacrylic acids in their synthesizing pathways. The imidazole ring in its structure can interact with specific biological targets in the body, such as enzymes or receptors, which are involved in the inflammatory response.The imidazole ring can interact with biological targets such as enzymes and receptors that are involved in inflammation. By being part of the drug molecule, it may help modulate the activity of these targets, thereby reducing inflammation.It may modulate the activity by being part of a drug molecule. This will reduce inflammation.
In the area of organic synthesis, 4 - imidazoleacrylic acid serves as a valuable building block.In the field of organic synthesis 4 - imidazoleacrylic acids is a valuable building material. Chemists can use it to construct more complex organic molecules.It can be used by chemists to build more complex organic molecules. Its double - bond and carboxylic acid functional groups, along with the imidazole moiety, offer multiple sites for chemical reactions.The double - bonds and carboxylic acids functional groups of the imidazole moiety along with its carboxylic acid functional group offer multiple sites for chemistry reactions. Through processes like esterification of the carboxylic acid group or addition reactions to the double - bond, new compounds with different properties can be created.By using processes such as esterification of carboxylic acid groups or addition reactions to double-bonds, new compounds can be created with different properties. This is useful in the development of novel materials, such as polymers with special properties.This is useful for the development of new materials, such polymers with special characteristics.
In the realm of biochemistry research, 4 - imidazoleacrylic acid can be employed as a tool to study protein - ligand interactions.In biochemistry, 4 - imidazoleacrylic can be used to study the interactions between proteins and ligands. Since it has a structure that can potentially bind to proteins, it can be radiolabeled or fluorescently tagged.It can be fluorescently or radiolabeled because it has a structure which can potentially bind proteins. Scientists can then use it to observe how proteins interact with ligands that have an imidazole - acrylic acid - like structure.Scientists can use it to observe the interaction between proteins and ligands with an imidazole-acrylic acid-like structure. This helps in understanding the mechanisms of various biological processes, such as signal transduction pathways where protein - ligand binding is a crucial step.This helps to understand the mechanisms of biological processes such as signal transduction pathways, where protein-ligand binding is an important step.
Furthermore, in the development of agricultural chemicals, 4 - imidazoleacrylic acid could potentially play a role.In the development of agricultural chemical, 4 - imidazoleacrylic could play a significant role. It may be used to create pesticides or plant growth regulators.It can be used to make pesticides or plant growth regulaters. Its ability to interact with biological systems in plants could be harnessed to either protect plants from pests or enhance their growth.Its ability interact with biological systems within plants could be harnessed either to protect plants from pests, or to enhance their growth. For instance, it might be designed to target specific enzymes in pests that are essential for their survival, acting as a selective and effective pesticide.It could be designed to target enzymes in pests which are essential to their survival. This would act as a selective pesticide. Or it could interact with plant hormones or receptors to regulate plant growth and development.Or, it could interact with hormones or receptors in plants to regulate growth and development. Overall, 4 - imidazoleacrylic acid has diverse applications across multiple scientific and industrial fields due to its versatile chemical structure.The versatile chemical structure of 4 - imidazoleacrylic acids allows it to be used in a wide range of scientific and industrial fields.
What are the properties of 4-Imidazoleacrylic acid?
4 - Imidazoleacrylic acid, also known as 4 - (1H - imidazol - 4 - yl)acrylic acid, has several notable properties.The 4 'Imidazoleacrylic Acid, also known by the name 4 '(1H-imidazol- 4-yl)acrylic Acid, has a number of notable properties.
Physical properties
In terms of appearance, it is typically a solid.It is usually a solid. Its melting point is an important characteristic.Its melting temperature is an important characteristic. Precise determination of the melting point can help in identifying and purifying the compound.The melting point can be determined precisely to identify and purify the compound. The melting point data can be used to assess the purity of a sample, as impurities usually lower and broaden the melting range.The melting point data is useful for assessing the purity of a given sample. Impurities tend to lower the melting range and increase it.
It has a certain solubility behavior.It has a specific solubility behaviour. Solubility depends on the nature of the solvent.The nature of the solvent will determine the solubility. In polar solvents like water, it may have limited solubility due to the relatively hydrophobic imidazole and acrylic acid moieties.It may be difficult to dissolve in polar solvents such as water due to the hydrophobic imidazole or acrylic acid moiety. However, it may show better solubility in more polar organic solvents such as dimethyl sulfoxide (DMSO) or N, N - dimethylformamide (DMF).It may be more soluble in organic solvents that are more polar, such as N, N – dimethylformamide or dimethyl sulfoxide. This solubility property is crucial for its handling in laboratory settings, for example, when preparing solutions for chemical reactions or spectroscopic analysis.This property is important for its handling in laboratories, such as when preparing solutions for spectroscopic or chemical analysis.
Chemical properties
The imidazole ring in 4 - imidazoleacrylic acid imparts basic properties.The imidazole ring of 4 - imidazoleacrylic acids imparts basic properties. Imidazole contains two nitrogen atoms, one of which is more basic than the other due to resonance effects.Imidazole has two nitrogen atoms. One of them is more basic due to resonance effects. This basicity allows 4 - imidazoleacrylic acid to react with acids to form salts.This basicity allows for 4 - imidazoleacrylic to react with acids and form salts. These salts can have different physical and chemical properties compared to the free acid form, and they may be more soluble in polar solvents.These salts may have different chemical and physical properties than the free acid, and they might be more soluble in solvents with polarity.
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 towards addition reactions.The carbon-carbon double bond is reactive to addition reactions. For instance, it can undergo electrophilic addition reactions with reagents like bromine or hydrogen halides.It can undergo electrophilic reactions with reagents such as bromine or hydrogen chlorides. This reactivity makes 4 - imidazoleacrylic acid a useful building block in organic synthesis for creating more complex molecules.This reactivity makes the 4 - imidazoleacrylic acids a useful building blocks in organic synthesis to create more complex molecules.
The carboxylic acid group is acidic.The carboxylic acid group has an acidic nature. It can participate in acid - base reactions, for example, reacting with bases such as sodium hydroxide to form the corresponding carboxylate salt.It can be involved in acid-base reactions, such as reacting with bases like sodium hydroxide, to form the carboxylate salt. The carboxylic acid group can also be involved in esterification reactions when reacted with alcohols in the presence of a catalyst, such as sulfuric acid.The carboxylic group can also participate in esterification reactions, when it reacts with alcohols under the influence of a catalyst such as sulfuric acids. These reactions can be used to modify the physical and chemical properties of 4 - imidazoleacrylic acid, for example, to improve its solubility or stability in different environments.These reactions can be used for modifying the physical and chemical characteristics of 4 - imidazoleacrylic acids, such as improving its solubility or stabilty in different environments.
Biological properties
In some biological systems, the imidazole group in 4 - imidazoleacrylic acid can interact with proteins and enzymes.In some biological systems the imidazole group of 4 - imidazoleacrylic can interact with enzymes and proteins. Imidazole rings are often found in the active sites of many enzymes, and 4 - imidazoleacrylic acid may potentially act as an inhibitor or a modulator of enzyme activity.Imidazole rings can be found in the active site of many enzymes. 4 - imidazoleacrylic may act as an enzyme inhibitor or modulator. The carboxylic acid group can also participate in hydrogen bonding and electrostatic interactions with biological macromolecules, which may influence its biological activity and interactions within cells or in biological fluids.The carboxylic group can also participate with hydrogen bonding or electrostatic interactions between biological macromolecules. This may influence the biological activity of the cell or fluid.
How is 4-Imidazoleacrylic acid synthesized?
4 - Imidazoleacrylic acid can be synthesized through multiple methods.Multiple methods can be used to synthesize Imidazoleacrylic Acid. One common approach involves starting from imidazole derivatives.One common method involves starting with imidazole derivatives.
First, an appropriate imidazole compound is selected.First, a suitable imidazole is selected. For instance, imidazole can react with a suitable acrylic acid - related precursor.As an example, imidazole may react with a precursor that is related to acrylic acid. A common route might use a reaction where imidazole undergoes a substitution reaction with an acrylic acid derivative containing a good leaving group.A common route is to use a substitution reaction between imidazole and an acrylic acid derivative that contains a good leaving group.
In a typical synthesis, imidazole is mixed with an acrylate ester in the presence of a base.In a typical synthesis of imidazole, an acrylate ester is mixed with the imidazole in the presence a base. The base, such as potassium carbonate or sodium hydroxide, deprotonates the imidazole, making it more nucleophilic.The base, like potassium carbonate or Sodium hydroxide, deprotonates imidazole and makes it more nucleophilic. The nucleophilic imidazole then attacks the carbon - carbon double bond of the acrylate ester in a Michael - type addition reaction.The nucleophilic iminazole attacks the double carbon bond of the acrylate esters in a Michael-type addition reaction. This forms an intermediate with the imidazole moiety attached to the acrylic acid backbone through a new carbon - carbon bond.This forms an intermediary with the imidazole moiety connected to the acrylic acid through a new Carbon - Carbon bond.
After the formation of the intermediate, if an ester group is present, hydrolysis is carried out.Hydrolysis occurs after the intermediate is formed if there is an ester group present. Hydrolysis can be achieved by treating the intermediate with an acid or a base in an aqueous medium.Hydrolysis can be achieved in an aqueous solution by treating the intermediates with an acid or base. When using an acid - catalyzed hydrolysis, for example, dilute hydrochloric acid is added to the reaction mixture.In the case of acid-catalyzed hydrogenation, diluted hydrochloric acids are added to reaction mixtures. The acid - catalyzed hydrolysis breaks the ester bond, converting the ester group into a carboxylic acid group, thus obtaining 4 - Imidazoleacrylic acid.The acid-catalyzed hydrogenation breaks the ester bonds, converting them into carboxylic acids, and thus giving 4 - Imidazoleacrylic Acid.
Another method could involve building the imidazole ring in - situ on an acrylic acid - based scaffold.Another method would be to build the imidazole rings in situ on an acrylic-based scaffold. Starting materials containing an amino group, a carbonyl group, and an acrylic acid side - chain can be used.Materials containing an acrylic acid side-chain, an amino group and a carbonyl can be used as starting materials. Under appropriate reaction conditions, such as in the presence of a dehydrating agent and a catalyst, the amino and carbonyl groups can react to form the imidazole ring while being attached to the acrylic acid part.Under the right conditions, such a presence of a catalyst and a dehydrating agent, the amino group and carbonyl group can react and form the imidazole rings while attached to the acrylic part.
The reaction conditions need to be carefully controlled throughout the synthesis process.The reaction conditions must be carefully monitored throughout the entire synthesis process. Temperature, reaction time, and the stoichiometry of the reactants all play crucial roles.Temperature, reaction times, and stoichiometry are all important factors. For example, the Michael - type addition reaction usually occurs at a specific temperature range, often around room temperature to moderately elevated temperatures (e.g., 50 - 80 degC depending on the reactivity of the starting materials).The Michael - type reaction, for example, usually occurs within a certain temperature range. This is often between room temperature and moderately elevated temperatures. The hydrolysis step also requires proper control of reaction conditions to ensure complete conversion to the carboxylic acid without over - hydrolysis or side - reactions.Hydrolysis also requires the proper control of reaction parameters to ensure complete conversion into carboxylic acid, without over-hydrolysis or side-reactions. After the reaction is complete, the product can be isolated and purified through techniques like recrystallization, column chromatography, etc., to obtain pure 4 - Imidazoleacrylic acid.After the reaction has been completed, the product can then be isolated and purified using techniques such as recrystallization, columns chromatography, etc. to obtain pure 4-Imidazoleacrylic Acid.
What are the safety precautions when handling 4-Imidazoleacrylic acid?
4 - Imidazoleacrylic acid is a chemical compound, and when handling it, several safety precautions should be taken.Imidazoleacrylic Acid is a chemical compound. When handling it, you should take several safety precautions.
First, in terms of personal protective equipment, always wear appropriate clothing.Wear the appropriate clothing when it comes to personal protective equipment. This includes a lab coat or protective apron to prevent the chemical from coming into contact with your regular clothes.Wear a lab coat, or a protective apron, to prevent the chemical from contacting your clothes. Any spill on the protective clothing can be easily removed by taking off the outer layer, reducing the risk of skin exposure.The outer layer of the protective clothing can easily be removed to reduce the risk of skin contact.
Eye protection is crucial.Eye protection is essential. Safety goggles should be worn at all times during handling.Wear safety goggles at all times when handling. 4 - Imidazoleacrylic acid could potentially splash into the eyes, which might cause irritation, chemical burns, or even damage to the eyesight.Imidazoleacrylic Acid could splash into the eye, causing irritation, chemical burns or even damage to eyesight. Goggles provide a physical barrier to keep the chemical away from the eyes.Goggles act as a physical barrier, keeping the chemical out of the eyes.
Gloves are also necessary.Gloves are necessary. Select chemical - resistant gloves, such as nitrile gloves.Choose gloves that are resistant to chemicals, such as nitrile. They can prevent the chemical from getting on your hands.You can avoid getting the chemical on your hands. Skin contact with 4 - Imidazoleacrylic acid may lead to skin irritation, redness, and in more severe cases, allergic reactions.Skin contact with 4 – Imidazoleacrylic Acid can cause skin irritation, redness and, in more severe cases allergic reactions. Make sure the gloves fit properly and there are no holes or tears.Check that the gloves are properly fitted and have no holes or tears.
When handling 4 - Imidazoleacrylic acid in a laboratory setting, work in a well - ventilated area.Work in a well-ventilated area when handling 4 - Imidazoleacrylic Acid in a lab setting. If possible, use a fume hood.If possible, use fume hoods. This compound may release fumes, and inhaling these fumes can cause respiratory problems, including irritation of the nose, throat, and lungs.Inhaling fumes from this compound can cause respiratory problems including irritation of the throat, nose, and lungs. A fume hood effectively removes the fumes from the breathing zone, ensuring a safer working environment.A fume hood removes fumes from your breathing zone and creates a safer work environment.
In case of accidental spillage, have a spill kit ready.Prepare a spill kit in case of an accidental spillage. For solid 4 - Imidazoleacrylic acid spills, carefully scoop up the chemical using appropriate tools like a dustpan and brush, and place it in a labeled waste container.If you spill 4 - Imidazoleacrylic Acid, use a dustpan or brush to carefully scoop it up and place it into a waste container. For liquid spills, absorb the liquid with an absorbent material from the spill kit, then clean the area thoroughly with a suitable solvent and water.If you have liquid spills, use the absorbent material in the spill kit to absorb the liquid, then thoroughly clean the area with a suitable cleaner and water.
Finally, know the location of safety showers and eyewash stations.Know the location of eyewash stations and safety showers. In the event of large - scale skin or eye exposure, these can be used immediately to flush away the chemical, reducing the potential for long - term damage.These can be used to flush out the chemical immediately in the event of a large-scale skin or eye exposure. This will reduce the risk of long-term damage. After any exposure, seek medical attention promptly, even if the initial symptoms seem mild.Even if your symptoms are mild, you should seek medical attention immediately after any exposure.