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(2e)-3-[4-(1h-imidazol-1-ylmethyl)phenyl]acrylic Acid


Properties
Product Name (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid
Cas Number 5118-13-8
Formula C13H12N2O2
Molar Mass 228.25 g/mol
Melting Point Not Available
Boiling Point Not Available
Density Not Available
Solubility Not Available
Appearance Not Available
Pka Not Available
Logp Not Available
Refractive Index Not Available
Flash Point Not Available
Stability Not Available
Risk Phrases Not Available
FAQ

What is the chemical structure of %60%25282E%2529-3-%255B4-%25281H-Imidazol-1-ylmethyl%2529phenyl%255Dacrylic%2Bacid%60?

1. First, break down the name to understand the structure:Break down the name in order to understand the structure. - "(2E)-3 - [4 - (1H - Imidazol - 1 - ylmethyl)phenyl]acrylic acid" indicates the following structural features.
- "(2E)" refers to the configuration around a double bond."(2E)," is the configuration of a double bond. In organic chemistry, the E/Z system is used to describe the relative positions of groups on a double - bonded carbon.In organic chemistry the E/Z system describes the relative positions of groups around a double-bonded carbon. For an alkene, if the two higher - priority groups are on opposite sides of the double bond, it is the E - configuration.The E-configuration is used for an alkene if two groups of higher priority are on opposite sides. Here, the double bond in the acrylic acid part has the E - configuration.The double bond in this acrylic acid part is E-configured.
- "acrylic acid" is the basic backbone.The basic backbone is "acrylic acid". Acrylic acid has the structure CH2=CH - COOH.Acrylic acid is composed of CH2=CH-COOH. The double bond is between the first and second carbon atoms, and the carboxyl group (-COOH) is attached to the second carbon atom.The double bond is located between the first carbon atom and the second, and the carboxyl (-COOH), is attached to second carbon atom.
- "3 - [4 - (1H - Imidazol - 1 - ylmethyl)phenyl]" indicates that at the 3 - position of the acrylic acid (counting from the carbon of the carboxyl group as carbon 1), there is a phenyl group substitution."3 – [4 – (1H - Imidazol- 1 ylmethyl-phenyl]" indicates a substitution of phenyl at the 3 – position of the acrylic acids (counting the carbon of carboxyl as carbon 1).
- The phenyl group has a substitution at the 4 - position.The phenyl group is substituted at the 4th position. The substitution is "(1H - Imidazol - 1 - ylmethyl)".The substitution is ((1H- Imidazol- 1 -ylmethyl)".
2. Structure of the imidazole part:Structure of the imidazole component:
- 1H - Imidazole is a five - membered heterocyclic compound with two nitrogen atoms in the ring.The ring of - 1H- imidazole is five-membered and contains two nitrogen atoms. The structure of 1H - imidazole has the formula C3H4N2.The formula of 1H-imidazole is C3H4N2. It has two double bonds in the ring, and one of the nitrogen atoms is part of an NH group.The ring has two double bonds, and one nitrogen atom is a member of an NH-group. In the name, the "1 - yl" part indicates that the imidazole ring is attached to the rest of the molecule through the nitrogen atom at the 1 - position.The "1 -yl" part of the name indicates that the imidazole is attached to the rest molecule by the nitrogen atom in the 1 - position.
- "1H - Imidazol - 1 - ylmethyl" means that a methylene group (-CH2 -) is attached to the 1 - nitrogen of the imidazole ring."1H-Imidazol-1-ylmethyl" means a methylene (-CH2 +) group is attached to the 1-nitrogen of the imidazole rings. So, the group has the structure where the imidazole ring is connected to a -CH2 - group.The group is formed by the imidazole group being connected to the -CH2 group.
3. Structure of the phenyl - based substitution:Structure of the phenyl-based substitution
- The phenyl group (C6H5) has a -CH2 - group (from the "1H - Imidazol - 1 - ylmethyl" part) attached at its 4 - position.The phenyl (C6H5) group has a '-CH2' group (from "1H-Imidazol- 1 ylmethyl") attached at its position 4.
4. Overall structure:Overall structure
- Combining all these parts, the overall structure of (2E)-3 - [4 - (1H - Imidazol - 1 - ylmethyl)phenyl]acrylic acid has the following features. There is an acrylic acid part with the E - configured double bond.The acrylic acid has a double bond with an E-configuration. At the 3 - position of the acrylic acid, a phenyl group is attached.A phenyl group has been attached to the acrylic acid at the 3 - position. At the 4 - position of this phenyl group, a "1H - Imidazol - 1 - ylmethyl" group is present.This "1H-Imidazol- 1 – ylmethyl" is present at the 4 -position of this phenyl. In a more detailed way, starting from the carboxyl group (-COOH), the carbon next to it is part of a double - bonded structure (CH = CH).The carbon next to the carboxyl group is a part of a double-bonded structure (CH =CH). The second carbon of this double - bond has the phenyl group attached.The phenyl group is attached to the second carbon of this double-bond. The phenyl ring then has the "1H - Imidazol - 1 - ylmethyl" group attached at its para - position (4 - position).The "1H- Imidazol- 1 ylmethyl-" group is then attached to the phenyl ring at its para – position (4 – position). The imidazole ring in the "1H - Imidazol - 1 - ylmethyl" group has two nitrogen atoms in a five - membered ring with double bonds, and it is connected to the phenyl group through a -CH2 - bridge from the 1 - nitrogen of the imidazole ring.The imidazole group in the "1H- Imidazol- 1 ylmethyl group" has two nitrogen atoms arranged in a five-membered ring, with double bonds. It is connected to phenyl through a '-CH2 bridge from the 1 nitrogen of the imidazole group.

What are the applications of %60%25282E%2529-3-%255B4-%25281H-Imidazol-1-ylmethyl%2529phenyl%255Dacrylic%2Bacid%60?

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid likely has several applications, though without more context on its specific properties, we can make some general inferences based on its structure.
One area where it might find use is in medicinal chemistry.It could be used in medicinal chemistry. The imidazole moiety is a common feature in many bioactive compounds.Many bioactive compounds contain the imidazole moiety. Imidazole rings can interact with biological targets through hydrogen bonding, hydrophobic interactions, and sometimes coordinate with metal ions in proteins.Imidazole rings interact with biological targets via hydrogen bonding and hydrophobic interactions. They can also coordinate with metal ions within proteins. The acrylic acid part could potentially be used for conjugation reactions or to introduce a reactive group for further chemical modifications.The acrylic acid component could be used to initiate conjugation reactions, or introduce a reactive group in order to further modify the chemical. This compound might be designed as a lead compound for the development of drugs targeting specific biological pathways.This compound could be used as a lead compound to develop drugs that target specific biological pathways. For example, it could be developed into an inhibitor of a particular enzyme where the imidazole group binds to the active site of the enzyme, and the acrylic acid part can be modified to optimize the binding affinity and selectivity.It could be used as an inhibitor of a specific enzyme where the imidazole binds at the active site and the acrylic acid can be modified to optimize binding affinity and selectivity.

In the field of materials science, it could be used in the synthesis of specialty polymers.In materials science, it can be used to synthesize specialty polymers. The acrylic acid group can participate in polymerization reactions, forming polymers.The acrylic acid group is capable of participating in polymerization reactions and forming polymers. The presence of the imidazole - containing phenyl group can impart unique properties to the resulting polymer.The imidazole-containing phenyl groups can give the polymer unique properties. For instance, the imidazole group might enhance the polymer's ability to interact with other substances, such as metal ions or polar molecules.The imidazole group can enhance the polymer’s ability to interact, for example, with other substances such as metal ions and polar molecules. This could lead to the creation of polymers with specific functions like ion - exchange properties, or polymers that can be used in coatings where they need to adhere well to certain substrates due to the interactions mediated by the imidazole group.This could lead to polymers with specific properties such as ion-exchange properties or polymers which can be used for coatings, where they must adhere well to certain substrates because of the interactions mediated through the imidazole groups.

It may also have applications in the area of organic synthesis as a building block.It can also be used as a building-block in organic synthesis. Its unique structure allows for further functionalization.Its unique structure allows further functionalization. The acrylic acid can be transformed into various derivatives such as esters, amides, or nitriles.Acrylic acid can be converted into esters, amides or nitriles. The imidazole - substituted phenyl group can serve as a site - specific anchor for additional chemical reactions.The imidazole-substituted phenyl can be used as a site-specific anchor for other chemical reactions. Chemists could use it to create more complex organic molecules with tailored properties, whether for research purposes or for the production of fine chemicals.It could be used by chemists to create more complex organic molecule with tailored properties for research or production of fine chemicals.

In the context of drug delivery systems, the compound could potentially be incorporated into carriers.The compound could be used in drug delivery systems. The imidazole group might help in the targeting of certain cells or tissues that have receptors or proteins with which it can interact.The imidazole groups might be used to target certain cells or tissues with receptors or proteins that it can interact with. The acrylic acid group could be used to conjugate the compound to a suitable polymer or nanoparticle carrier, enabling the controlled release of drugs or other bioactive agents within the body.The acrylic acid group can be used to conjugate a compound to a polymer or nanoparticle, enabling controlled release of drugs and other bioactive agents in the body. Overall, (2E)-3-[4-(1H - Imidazol-1-ylmethyl)phenyl]acrylic acid has potential across multiple scientific disciplines due to its interesting combination of chemical groups.

What are the properties of %60%25282E%2529-3-%255B4-%25281H-Imidazol-1-ylmethyl%2529phenyl%255Dacrylic%2Bacid%60?

(2E)-3-[4-(1H - Imidazol - 1 - ylmethyl)phenyl]acrylic acid likely has several properties.
First, in terms of its physical properties, it is likely a solid at room temperature.It is likely to be a solid, at least in terms of its properties, when it comes to room temperature. Organic acids with similar structures often crystallize due to intermolecular forces such as hydrogen bonding.Intermolecular forces, such as hydrogen bonds, are often responsible for the crystallization of organic acids with similar structure. The presence of the carboxylic acid group (-COOH) allows for the formation of strong hydrogen bonds both with itself and with other polar molecules.The carboxylic acid group allows for strong hydrogen bonds to form with both itself and other polar molecules. This can also contribute to its relatively high melting point compared to non - polar compounds.This can also be a factor in its relatively high melting temperature compared to other non-polar compounds.

The molecule contains an aromatic ring in the phenyl group and an imidazole ring.The molecule has an aromatic ring within the phenyl ring and an imidazole group. Aromatic rings are planar and confer a certain degree of rigidity to the molecule.Aromatic rings are plane and give the molecule a certain rigidity. The imidazole ring is a heterocyclic aromatic structure with two nitrogen atoms.The imidazole is a heterocyclic structure with two nitrogen-atoms. The nitrogen atoms in the imidazole ring can participate in hydrogen bonding as both donors and acceptors, which can influence the solubility and crystal packing of the compound.The nitrogen atoms of the imidazole can participate in hydrogen bonds as both donors and accepting atoms, which can affect the solubility and packing of the compound.

Regarding solubility, the carboxylic acid group makes the molecule polar.The carboxylic acid group is what makes the molecule solubilized. It is likely to be soluble in polar solvents such as water, alcohols, and dimethyl sulfoxide (DMSO).It is likely that it will be soluble in polar solutions such as alcohols, water, and dimethyl sulfoxide. However, the presence of the relatively large hydrophobic phenyl and imidazole moieties may limit its solubility in water to some extent.The presence of relatively large hydrophobic imidazole and phenyl moieties can limit its solubility to some extent in water. In organic solvents, its solubility will depend on the nature of the solvent - polar organic solvents will generally dissolve it better due to the polar carboxylic acid group, while non - polar solvents may have limited solubility.In organic solvents its solubility depends on the nature and type of solvent. Polar organic solvents dissolve it more easily due to the carboxylic acid groups, while non-polar solvents have a limited solubility.

From a chemical reactivity perspective, the carboxylic acid group is reactive.The carboxylic acid group has a high reactivity. It can undergo typical acid - base reactions, reacting with bases to form salts.It can undergo acid-base reactions, forming salts by reacting with bases. For example, it can react with sodium hydroxide to form the corresponding sodium salt.It can, for example, react with sodium hydroxide and form the sodium salt. The double bond in the acrylic acid part is also reactive.The double bond of the acrylic acid is also reactive. It can participate in addition reactions, such as reacting with hydrogen in the presence of a catalyst (hydrogenation) to form the saturated derivative.It can also participate in other reactions, like reacting with hydrogen and a catalyst to form the saturated derivative. The imidazole ring can also be involved in reactions.The imidazole rings can also be involved in reaction. For instance, the nitrogen atoms can be alkylated or acylated under appropriate reaction conditions.Under the right conditions, nitrogen atoms may be alkylated and acylated.

In terms of potential biological properties, the imidazole ring is a common motif in many biologically active compounds.The imidazole ring has many biologically active compounds. It can interact with biological macromolecules such as proteins and nucleic acids.It can interact with macromolecules like proteins and nucleic acid. The carboxylic acid group may also be involved in interactions with biological targets, either through hydrogen bonding or ionic interactions.The carboxylic group may also interact with biological targets through hydrogen bonding and ionic interactions. So, this compound may have potential biological activities such as acting as an inhibitor or ligand for certain enzymes or receptors, although further experimental studies would be needed to confirm any specific biological effects.This compound may also have biological activities, such as acting as a ligand or inhibitor for certain receptors or enzymes. However, further experiments would be required to confirm any specific biological effects.

How is %60%25282E%2529-3-%255B4-%25281H-Imidazol-1-ylmethyl%2529phenyl%255Dacrylic%2Bacid%60 synthesized?

The synthesis of (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid likely involves several steps.
Step 1: Preparation of the starting materialsStep 1 - Preparation of the initial materials
One of the key starting materials is likely 4 - (bromomethyl)phenylacetic acid derivative or a compound that can be converted to it. This can be obtained through appropriate substitution reactions on a benzene ring.This can be achieved by appropriate substitution reactions on the benzene rings. For example, if starting from toluene, a sequence of reactions might include bromination at the methyl group to get bromomethyltoluene, followed by functional group manipulations to introduce the necessary carboxylic acid functionality.If starting with toluene a series of reactions could include bromination on the methyl group in order to get bromomethyltoluene. This would be followed by functional group manipulations in order to introduce the carboxylic acid functionality.

Step 2: Introduction of the imidazole moietyStep 2 - Introduction of the imidazole moiety
The next step is to introduce the 1H - imidazol - 1 - ylmethyl group.The next step is the introduction of the 1H-imidazol-1-ylmethyl group. This can be achieved by reacting the 4 - (bromomethyl)phenyl - containing compound with imidazole.This can be done by reacting the compound containing 4 - (bromomethyl phenyl) with imidazole. The reaction is likely a nucleophilic substitution reaction, where the nitrogen atom of imidazole acts as a nucleophile and attacks the carbon atom attached to the bromine in the 4 - (bromomethyl)phenyl - containing compound.This is most likely a nucleophilic replacement reaction where the nitrogen atom in imidazole acts like a nucleophile to attack the carbon atom on the bromine atom in the compound containing 4 - (bromomethyl). This reaction is usually carried out in the presence of a base to facilitate the deprotonation of imidazole and enhance its nucleophilicity.This reaction is carried out in the presence a base, to enhance the nucleophilicity of imidazole. Solvents like dimethylformamide (DMF) or dimethyl sulfoxide (DMSO) are commonly used to dissolve the reactants and promote the reaction.Solvents such as dimethylformamide or dimethyl sulfoxide are commonly used to dissolve reactants and promote reaction.

Step 3: Formation of the acrylic acid double bondStep 3 - Formation of the double bond between acrylic acid and the acrylic acid
After the introduction of the imidazolylmethyl group, the formation of the acrylic acid part is required.The acrylic acid is formed after the introduction of the group imidazolylmethyl. This can be achieved through a Wittig - type reaction or a Horner - Wadsworth - Emmons reaction.This can be done by a Wittig-type reaction or a Horner-Wadsworth-Emmons reaction. In a Wittig reaction, a phosphonium ylide is prepared from a phosphonium salt.In a Wittig reaction, a phosphonium sal is converted into a phosphonium-ylide. The phosphonium ylide reacts with an aldehyde or a ketone to form an alkene.The phosphonium salt reacts with an ketone or an aldehyde to form an alanine. In this case, a suitable aldehyde derivative of the 4 - (1H - imidazol - 1 - ylmethyl)phenyl - containing compound can be reacted with a phosphonium ylide derived from an appropriate phosphonium salt.In this case, an aldehyde derived from the 4 – (1H – imidazol 1 – ylmethyl phenyl)-containing compound can react with a phosphoniumylide derived by a suitable phosphoniumsalt. The reaction conditions are carefully controlled to ensure the formation of the (E)-configured double bond, which is characteristic of the target (2E)-3-[4-(1H - imidazol - 1 - ylmethyl)phenyl]acrylic acid.

Step 4: Purification and isolationStep 4 - Purification and isolation
After the reaction is complete, the product is isolated from the reaction mixture.After the reaction has completed, the product is separated from the reaction mixture. This usually involves techniques such as extraction, where the product is selectively transferred from the reaction solvent to an organic solvent.This is usually done using techniques like extraction, in which the product is transferred selectively from the reaction solvent into an organic solvent. Then, purification steps like column chromatography can be used to separate the desired product from any unreacted starting materials, by - products, or reaction intermediates.Purification steps such as column chromatography are then used to separate the desired products from unreacted starting materials or by-products. Recrystallization can also be employed to further purify the product and obtain it in a highly pure form suitable for further studies or applications.Recrystallization is another way to purify a product further and get it in a highly-pure form that can be used for further studies or applications.

What are the safety precautions when handling %60%25282E%2529-3-%255B4-%25281H-Imidazol-1-ylmethyl%2529phenyl%255Dacrylic%2Bacid%60?

When handling (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid, the following safety precautions should be taken.
First, in terms of personal protective equipment.Personal protective equipment is the first thing to consider. Wear appropriate laboratory clothing, such as a lab coat, to prevent any potential contact of the chemical with regular clothes.Wear the appropriate laboratory clothing such as a labcoat to prevent any possible contact with regular clothes. Gloves made of a suitable material are essential.Gloves of the right material are vital. Nitrile gloves are often a good choice as they can provide a certain degree of resistance to many chemicals.Nitrile gloves can be a good option as they provide a degree of resistance against many chemicals. This helps to avoid direct skin contact, as skin exposure may lead to irritation, allergic reactions or other harmful effects.This will help to avoid skin contact as direct skin exposure can cause irritation, allergic reactions, or other harmful effects. Safety goggles are also crucial.Safety goggles are essential. They protect the eyes from any splashes of the chemical, which could cause serious eye damage, including burns or impairment of vision.They protect your eyes from any chemical splashes that could cause serious eye injuries, including burning or impaired vision.

Second, consider the handling environment.Second, you should consider the handling environment. Work in a well - ventilated area, preferably a fume hood.Work in an area that is well-ventilated, preferably with a fume hood. This is because the chemical may emit vapors or dust particles that could be inhaled.This is because the chemical could emit vapors or particles of dust that can be inhaled. In a fume hood, these potentially harmful substances can be effectively removed from the breathing zone, reducing the risk of respiratory problems.These potentially harmful substances are effectively removed from the breathing area by a fume-hood, reducing the risk for respiratory problems. Ensure that the fume hood is operating correctly before starting any work with the chemical.Check that the fume-hood is working properly before you begin to work with the chemical.

Third, be careful during storage.Third, take care when storing the acid. Store (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid in a cool, dry place away from sources of heat and ignition. It should be stored in a properly labeled container to prevent confusion with other chemicals.It should be stored in an appropriately labeled container, to avoid confusion with other chemicals. Keep it away from incompatible substances.Keep it away form incompatible substances. For example, avoid storing it near strong oxidizing agents or reducing agents as this could lead to dangerous chemical reactions.Avoid storing it near oxidizing or reducing agents, for example, as this can lead to dangerous chemical reaction.

Fourth, in case of accidental exposure.Fourth, in the event of accidental exposure. If there is skin contact, immediately remove contaminated clothing and wash the affected area with plenty of water for at least 15 minutes.If skin contact occurs, remove the contaminated clothing immediately and wash the affected area for at least 15 min. Seek medical attention if there is any sign of irritation or other adverse effects.If irritation or other adverse reactions are present, seek medical attention. In case of eye contact, flush the eyes with copious amounts of water for a long time, lifting the eyelids gently to ensure thorough rinsing, and then seek immediate medical help.If you have eye contact, rinse the eyes thoroughly with water, lifting the eyelids to ensure a thorough rinse. Seek immediate medical attention. If inhaled, move to an area with fresh air immediately.If inhaled immediately move to a fresh air area. If breathing difficulties occur, call for emergency medical services.Call emergency medical services if you experience breathing difficulties. In the event of ingestion, do not induce vomiting unless instructed by a medical professional.If you have eaten something, do not induce vomiting without the permission of a medical professional. Instead, seek immediate medical advice.Seek immediate medical advice.

Finally, always follow standard laboratory procedures and safety guidelines.Always follow safety guidelines and standard laboratory procedures. Read the safety data sheet (SDS) of the chemical thoroughly before handling it.Before handling the chemical, read the safety data sheet (SDS). The SDS provides detailed information about the physical and chemical properties, hazards, and safety precautions specific to (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid.