.
Product Name | 3-(4-Imidazolyl)acrylic acid |
Cas Number | 6194-80-3 |
Formula | C6H6N2O2 |
Molar Mass | 138.12 |
Property 1 | White to off-white solid |
Property 2 | Solubility in water: Sparingly soluble |
Property 3 | Melting point: 245°C |
Property 4 | pKa: 4.15 (carboxylic acid) |
Property 5 | Density: Not readily available |
Property 6 | Boiling point: Not readily available |
Property 7 | LogP: -0.41 |
Property 8 | Stability: Stable under recommended storage conditions |
Property 9 | Storage: Store in a cool, dry place |
Property 10 | Appearance: Crystalline powder |
What are the main applications of 3-(4-Imidazolyl)acrylic acid?
3-(4-Imidazolyl)acrylic acid has several main applications.
In the field of medicine, it can be used as an important intermediate for the synthesis of various pharmaceuticals.It can be used in the pharmaceutical industry as an intermediate in the synthesis of different drugs. Imidazole - containing compounds often exhibit significant biological activities.Compounds containing imidazoles often have significant biological activities. For example, some drugs designed to target specific receptors or enzymes in the body may incorporate the 3-(4 - Imidazolyl)acrylic acid structure.Some drugs that target specific enzymes or receptors in the body can incorporate the 3-(4-Imidazolyl )acrylic acid structure. It can potentially be used in the development of anti - inflammatory drugs.It could be used to develop anti-inflammatory drugs. Compounds with this structure may interact with key inflammatory pathways, such as those involving cytokines or prostaglandin synthesis, to reduce the body's inflammatory response.Compounds with the structure described above may interact with key inflammatory mechanisms, such as those that involve cytokines and prostaglandins, to reduce inflammation.
It also has applications in the area of organic synthesis.It is also useful in organic synthesis. Due to the presence of the imidazole ring and the acrylic acid moiety, 3-(4 - Imidazolyl)acrylic acid can participate in a variety of chemical reactions.The presence of the imidazole and the acrylic acid moiety in 3-(4-Imidazolyl )acrylic can be used to participate in various chemical reactions. It can be used in condensation reactions, where the carboxylic acid group of the acrylic acid part can react with alcohols or amines to form esters or amides respectively.It can be used to create esters and amides by combining the acrylic acid with alcohols or amino acids. These new compounds formed can have different physical and chemical properties, and may find uses in materials science or further pharmaceutical synthesis.These new compounds can have different chemical and physical properties and may be used in materials science and pharmaceutical synthesis.
In addition, in the study of coordination chemistry, 3-(4 - Imidazolyl)acrylic acid can act as a ligand.In the study of coordination, 3-(4-Imidazolyl )acrylic acid may also act as a chemical ligand. The imidazole ring contains nitrogen atoms that have lone pairs of electrons, which can coordinate with metal ions.The imidazole rings contain nitrogen atoms with lone electron pairs that can coordinate with metals ions. By forming metal - ligand complexes, new materials with unique properties can be created.By creating metal-ligand complexes with unique properties, new materials can be created. These complexes may have applications in catalysis, as some metal - ligand complexes can efficiently catalyze chemical reactions.These complexes could be used in catalysis as some metal-ligand complexes are efficient catalysts of chemical reactions. For instance, they might be used to speed up the conversion of organic substrates in industrial chemical processes, offering more efficient and environmentally friendly ways of producing various chemicals.They could be used, for example, to speed up the conversion process of organic substrates, allowing for more efficient and environmentally-friendly ways of producing different chemicals. Also, these complexes may show interesting optical or magnetic properties, which can be explored for applications in areas such as sensors or magnetic storage devices.These complexes can also show interesting optical and magnetic properties that could be explored for applications such as magnetic storage devices or sensors. Overall, 3-(4 - Imidazolyl)acrylic acid is a versatile compound with potential in multiple scientific and industrial fields.Overall, 3-(4-Imidazolyl )acrylic acid has potential in many scientific and industrial fields.
What are the physical and chemical properties of 3-(4-Imidazolyl)acrylic acid?
3-(4-Imidazolyl)acrylic acid is a compound with distinct physical and chemical properties.
Physical properties:Physical Properties
Appearance: It typically exists as a solid.Appearance: It is usually a solid. Solids can have various forms such as powders or crystals depending on the synthesis and purification methods.Solids come in different forms, such as powders and crystals, depending on how they are synthesized and purified. The exact appearance may be influenced by factors like purity and crystallization conditions.The appearance of a solid can be affected by factors such as purity and crystallization conditions.
Color: Usually, it is likely to be a white or off - white solid.Color: It is usually a white or off-white solid. The light - colored appearance is common for many organic compounds with relatively simple chromophores in their molecular structure.Many organic compounds with simple chromophores are light-colored.
Melting point: The melting point is an important physical characteristic.Melting point is a very important physical characteristic. It helps in identifying the compound and also gives an indication of the strength of the intermolecular forces within the solid.It is used to identify the compound, and gives an indication of how strong the intermolecular force is within the solid. Precise determination of the melting point requires careful experimental measurement, and it can be used to assess the purity of the sample.The melting point can be determined precisely by careful experimental measurements. It is also used to determine the purity of a sample. Impurities generally lower the melting point and broaden the melting range.Impurities lower the melting point, and increase the melting range.
Solubility: In terms of solubility, it has limited solubility in non - polar solvents such as hexane or benzene due to the presence of polar functional groups in its structure.It has a limited solubility due to the presence polar functional groups within its structure. However, it shows better solubility in polar solvents like water, ethanol, and methanol.It is more soluble in polar solvents such as water, ethanol and methanol. The imidazole ring and the carboxylic acid group contribute to its polarity, enabling it to form hydrogen bonds with polar solvent molecules, which is the main reason for its solubility in these solvents.The carboxylic acid and imidazole rings contribute to its polarity. This allows it to form hydrogen bond with polar solvent molecules.
Chemical properties:Chemical properties
Acidity: The carboxylic acid group in 3-(4 - Imidazolyl)acrylic acid imparts acidic properties.Acidity: The carboxylic group in 3-(4-Imidazolylacrylic acid) imparts acidic characteristics. It can donate a proton in an aqueous solution, reacting with bases to form salts.It can donate a proton in an aqueous solutions, reacting with bases and forming salts. 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. This acidic nature allows it to participate in acid - base reactions, which can be useful in synthetic chemistry for the preparation of derivatives or in biochemical studies where pH - dependent interactions are relevant.This acidic nature allows for participation in acid-base reactions. This can be useful in synthesizing chemistry to prepare derivatives or biochemical studies that are pH-dependent.
Reactivity of the double bond: The acrylic acid part contains a carbon - carbon double bond.Reactivity of double bond: The acrylic part contains a double bond carbon-carbon. This double bond is reactive towards electrophilic addition reactions.This double bond is reactive towards electrophilic reactions. For example, it can react with halogens, hydrogen halides, or other electrophiles.It can, for example, react with halogens or hydrogen halides. The reaction mechanism typically involves the attack of the electrophile on the electron - rich double bond, forming a carbocation intermediate, which then reacts with a nucleophile to complete the addition reaction.The reaction mechanism is usually the electrophile attacking the electron-rich double bond to form a carbocation, which then reacts a nucleophile in order to complete the addition. This reactivity can be exploited for the synthesis of more complex organic molecules by adding various functional groups across the double bond.This reactivity is exploited to synthesize more complex organic molecules, by adding functional groups across the double bonds.
Reactivity of the imidazole ring: The imidazole ring has unique chemical properties.Reactivity of the imidazole rings: The imidazole rings have unique chemical properties. It can act as a weak base due to the presence of nitrogen atoms with lone pairs of electrons.It can act as weak base because of the presence of nitrogen with lone electron pairs. These lone pairs can accept protons, making the imidazole ring capable of participating in acid - base reactions.These lone electron pairs can accept protons and the imidazole rings are able to participate in acid-base reactions. Additionally, the imidazole ring can also be involved in coordination chemistry, binding to metal ions through the nitrogen atoms.The imidazole can also be used in coordination chemistry by binding to metal ions via the nitrogen atoms. This property is significant in biological systems where imidazole - containing compounds often interact with metal - containing enzymes.This property is important in biological systems, where imidazole-containing compounds interact with metal-containing enzymes.
How is 3-(4-Imidazolyl)acrylic acid synthesized?
3-(4-Imidazolyl)acrylic acid can be synthesized through several methods. One common approach is via a multi - step reaction starting from imidazole derivatives.One common method is a multi-step reaction starting with imidazole derivatives.
First, 4 - methylimidazole is often used as a starting material.As a first step, 4 -methylimidazole can be used. It can be oxidized to 4 - formylimidazole.It can be oxidized into 4 - formylimidazole. Oxidation methods may involve the use of oxidizing agents such as manganese dioxide in an appropriate solvent like acetone.Oxidation can be achieved by using oxidizing agents like manganese oxide in acetone or other suitable solvents. The reaction conditions need to be carefully controlled to ensure selective oxidation of the methyl group to the aldehyde group.To ensure that the methyl group is oxidized to the aldehyde, the reaction conditions must be carefully controlled.
Next, the formed 4 - formylimidazole is reacted with malonic acid in the presence of a base such as pyridine.The 4 - formylimidazole formed is then reacted with malonic acids in the presence a base, such as pyridine. This reaction follows the Knoevenagel condensation mechanism.This reaction follows the Knoevenagel condensing mechanism. During the reaction, the base deprotonates malonic acid, generating a reactive enolate ion.During the reaction the base deprotonates the malonic acid generating a reactive Enolate ion. The enolate then attacks the carbonyl group of 4 - formylimidazole.The enolate attacks the carbonyl groups of 4 -formylimidazole. After a series of proton - transfer and dehydration steps, 3-(4 - imidazolyl)acrylic acid is formed.After a series proton-transfer and dehydration stages, 3-(4-imidazolyl-acrylic) acid is formed. The reaction is typically carried out at an elevated temperature, usually around 100 - 150 degC, depending on the reaction scale and the specific reaction system.The reaction is usually carried out at a high temperature, typically between 100 and 150 degC depending on the scale of the reaction and the specific system.
Another possible synthetic route could start from imidazole itself.A second possible route to synthesize imidazole could be from the compound itself. Imidazole can be alkylated at the 4 - position with an appropriate alkylating agent containing a suitable leaving group.Imidazole may be alkylated in the 4 -position with an alkylating agent that contains a suitable leaving group. Then, through a series of functional group transformations, including oxidation and condensation reactions similar to the previous method, 3-(4 - imidazolyl)acrylic acid can be obtained.Then, using a series functional group transformations including oxidation reactions and condensation reactions similar the previous method, 3-(4-imidazolyl )acrylic acid is obtained.
After the synthesis, the product may need to be purified.Purification may be required after the synthesis. Common purification methods include recrystallization from appropriate solvents such as ethanol - water mixtures.Purification methods include recrystallization using appropriate solvents, such as ethanol-water mixtures. The purity of the product can be analyzed by techniques like high - performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy to confirm the structure and purity of 3-(4 - imidazolyl)acrylic acid.To confirm the purity and structure of 3-(4-imidazolyl-acrylic acid), techniques such as high-performance liquid chromatography (HPLC), and nuclear magnetic resonance spectroscopy (NMR) can be used. These synthetic methods provide ways to obtain this important compound which may have applications in the fields of pharmaceuticals, agrochemicals, and materials science.These synthetic methods offer a way to obtain this important compound that may have applications in pharmaceuticals, agrochemicals and materials science.
What is the stability and shelf life of 3-(4-Imidazolyl)acrylic acid?
3-(4-Imidazolyl)acrylic acid is a chemical compound. Regarding its stability, it generally shows good stability under normal conditions when stored properly.It is generally stable under normal conditions if stored properly. However, like many organic compounds, it can be affected by certain factors.Like many organic compounds, however, it can be affected negatively by certain factors.
In terms of environmental factors, exposure to strong light can potentially lead to photochemical reactions that might degrade the compound over time.Exposure to strong light may cause photochemical reactions, which could degrade the compound with time. Ultraviolet light, in particular, can initiate bond - breaking processes.Ultraviolet light can be particularly damaging to bonds. So, it is advisable to store it in a dark place, such as in opaque containers.It is best to store it in a dark area, such as opaque containers.
Moisture is another crucial factor.Moisture plays a crucial role. High humidity environments can cause hydrolysis reactions in some cases.In some cases, high humidity environments can cause hydrolysis. If water molecules interact with 3-(4 - Imidazolyl)acrylic acid, it could lead to the breakdown of the chemical structure.If water molecules react with 3-(4-Imidazolyl )acrylic acid it can lead to a breakdown of the chemical structure. Thus, storing it in a dry environment, perhaps with desiccants nearby, is beneficial.It is therefore beneficial to store it in a drier environment, with desiccants near.
Regarding its shelf - life, it is difficult to give an exact figure as it depends on multiple variables.It is difficult to give a precise figure for its shelf-life as it depends on many variables. Under ideal storage conditions, which include a cool (around 2 - 8 degC), dry, and dark place, it can have a relatively long shelf - life, potentially several years.It can have a long shelf-life under ideal conditions. These include a cool place (between 2 and 8 degC), a dry and dark environment. But if stored at elevated temperatures, for example, above 25 degC, the rate of degradation will increase.If stored at high temperatures, such as above 25 degC the rate of degradation increases. The presence of impurities or contaminants can also accelerate decomposition reactions.Impurities and contaminants can also speed up decomposition. If the compound is not pure, these impurities might act as catalysts for unwanted chemical reactions.Impurities in the compound can act as catalysts to unwanted chemical reactions.
In a laboratory setting, proper handling and storage can ensure that 3-(4 - Imidazolyl)acrylic acid remains stable for an extended period.In a lab setting, proper handling can ensure that 3-(4-Imidazolyl )acrylic acid is stable for a long period of time. In industrial applications, quality control measures need to be in place to monitor the stability of the compound during storage and transportation.In industrial applications, it is important to implement quality control measures to monitor the stability during storage and transport. Overall, with appropriate storage precautions, this compound can maintain its integrity and be used effectively in various applications such as in the synthesis of pharmaceuticals or other organic products within a reasonable time frame determined by its storage conditions.With the right storage precautions in place, this compound will maintain its integrity, and can be used in a variety of applications, such as the synthesis or pharmaceuticals, within a reasonable period of time determined by its storage conditions.
Are there any safety hazards associated with 3-(4-Imidazolyl)acrylic acid?
3-(4 - Imidazolyl)acrylic acid may have several potential safety hazards.There are several possible safety hazards associated with 3-(4-Imidazolyl)acrylic acids.
First, in terms of health effects, it might be an irritant.It could be an irritant. If it comes into contact with the skin, it could cause local irritation, leading to redness, itching, and possible skin damage.If it comes in contact with the skin it can cause irritation, resulting in redness, itchiness, and even skin damage. The skin may react as the chemical can disrupt the normal skin barrier function.The skin can react because the chemical can disrupt normal skin barrier function. Similarly, if it gets into the eyes, it can cause significant eye irritation, potentially resulting in pain, watering, and even damage to the delicate tissues of the eye, which could impact vision if not treated promptly.If it gets into the eye, it can cause irritation and pain. It may also cause watering or damage to the delicate tissues in the eye.
When inhaled, 3-(4 - Imidazolyl)acrylic acid in the form of dust or vapors can irritate the respiratory tract.Inhaled 3-(4-Imidazolylacrylic acid) in the form or dust or vapors may irritate the respiratory system. This may lead to symptoms such as coughing, shortness of breath, and a feeling of tightness in the chest.This can cause symptoms such as coughing and shortness of breathe, or a tight feeling in the chest. Prolonged or repeated exposure via inhalation could potentially cause more serious respiratory problems over time, like bronchitis or other chronic lung conditions.Inhaling the substance repeatedly or for a long time could lead to respiratory problems such as bronchitis and other chronic lung conditions.
There is also a concern regarding its potential toxicity.Its potential toxicity is also a cause for concern. Although specific data on its exact toxicity levels may vary, if ingested, it could cause harm to the internal organs.It is possible that ingesting it can cause harm to internal organs, even though the exact toxicity level may vary. The acidic nature of the compound might damage the lining of the digestive system, leading to nausea, vomiting, abdominal pain, and possible long - term effects on the liver and kidneys as they work to process and eliminate the substance from the body.The acidic nature could damage the lining in the digestive system. This can lead to nausea, vomiting and abdominal pain. It may also have long-term effects on the kidneys and liver as they try to process and remove the substance.
From an environmental perspective, if 3-(4 - Imidazolyl)acrylic acid is released into the environment, it could have an impact on aquatic life.If 3-(4-Imidazolyl )acrylic acid was released into the environment it could have a negative impact on aquatic life. It may be toxic to fish and other aquatic organisms, disrupting the delicate balance of the aquatic ecosystem.It could be toxic to fish, and other aquatic organisms. This would disrupt the delicate balance in the aquatic ecosystem. In soil, it could potentially affect soil microorganisms, which play a crucial role in nutrient cycling and plant health.In soil, it may affect soil microorganisms that are crucial to nutrient cycling and the health of plants.
In industrial or laboratory settings, proper handling procedures must be in place.In industrial or lab settings, it is important to follow the correct handling procedures. Workers should wear appropriate personal protective equipment, such as gloves, safety goggles, and respiratory protection, to minimize the risk of exposure.To minimize exposure, workers should wear personal protective equipment such as safety goggles, gloves, and respiratory protection. Storage should be in a well - ventilated area, away from sources of ignition as there may be a risk of fire or explosion under certain conditions, especially if the compound is in a finely divided form or in contact with oxidizing agents.Storage should be in an area that is well-ventilated and away from ignition sources. There may be a fire or explosion risk under certain conditions. This is especially true if the compound in finely divided form, or in contact with oxygenizing agents. Overall, awareness of these potential safety hazards is crucial to ensure the safe handling, use, and disposal of 3-(4 - Imidazolyl)acrylic acid.It is important to be aware of these potential hazards in order to ensure safe handling, use and disposal of 3-(4-Imidazolyl).acrylic acid.