What is the chemical structure of (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride?

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride is a compound with a specific chemical structure.
Let's break it down step by step.Let's break this down step-by-step. First, the base structure is acrylic acid.The base structure is acrylic. Acrylic acid has a structure where there is a double - bonded carbon - carbon (C = C) group adjacent to a carboxylic acid group (-COOH).The structure of acrylic acid is a double-bonded carbon-carbon (C = C), adjacent to a carboxylic group (-COOH). The general formula for acrylic acid is CH2=CH - COOH.The general formula of acrylic acid is CH2=CH-COOH.

In this particular compound, at the 3 - position of the acrylic acid chain, there is a phenyl ring substitution.In this compound, the phenyl ring is substituted at the 3 – position of the chain of acrylic acid. The phenyl ring is a six - membered aromatic ring with alternating double bonds, having the formula C6H5.The phenyl is a six-membered aromatic ring, with double bonds alternating between the members. It has the formula C6H5. So far, we have the structure where the acrylic acid has a phenyl group attached at the 3 - position of its chain.We have so far the structure of the acrylic acid with a phenyl attached to the 3 - position.

Next, on the phenyl ring, at the 4 - position (counting from the carbon where the phenyl ring is attached to the acrylic acid chain), there is a substitution with an imidazol - 1 - ylmethyl group.On the phenyl chain, at the 4th position (counting backwards from the carbon where phenyl is attached to the acid chain), a group imidazol-1-ylmethyl is substituted. Imidazole is a five - membered heterocyclic aromatic ring with two nitrogen atoms in the ring.Imidazole has five members and two nitrogen atoms. The 1 - position of the imidazole ring is where the methylene group (-CH2 -) is attached, which in turn is attached to the phenyl ring.The methylene group is attached at the 1 - position. This is also where the phenyl is attached. The imidazole ring has the formula C3H4N2.The imidazole has the formula C3H4N2.

Finally, this entire molecule is in the form of a hydrochloride salt.This entire molecule has now been converted to a salt of hydrochloride. This means that the basic molecule (the non - salt form of (2E)-3-[4-(1H - Imidazol - 1 - ylmethyl)phenyl]acrylic acid) has reacted with hydrochloric acid (HCl). The basic molecule likely has a basic site, perhaps on one of the nitrogen atoms of the imidazole ring, which can accept a proton from HCl.The basic molecule has a basic site that can accept a proton, possibly on one of its nitrogen atoms. When this happens, the nitrogen atom gains a positive charge, and the chloride ion (Cl -) from HCl associates with this positively charged species to form the hydrochloride salt.The nitrogen atom becomes positively charged, and the chloride ion from HCl binds to this positively charged species, forming the hydrochloride. Overall, this compound combines an acrylic acid moiety, a phenyl ring, an imidazole - containing side - chain, and exists as a hydrochloride salt due to the addition of hydrochloric acid.This compound is composed of an acrylic acid moiety with a phenyl chain and an imidazole-containing side-chain. It also contains hydrochloric acids.

What are the applications of (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride?

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride is a compound with potential applications in several areas.
In the field of medicinal chemistry, it may serve as a lead compound for drug development.It can be used as a lead compound in the field of medicinal chemical. The imidazole moiety in the structure is known to have biological activities.It is known that the imidazole moiety of the structure has biological activities. Imidazole-containing compounds can interact with various biological targets.Imidazole-containing substances can interact with a variety of biological targets. For example, they may bind to specific receptors or enzymes in the body.They may bind to specific enzymes or receptors in the body. The acrylic acid part of the molecule might contribute to its ability to participate in chemical reactions within the biological environment.The acrylic acid component of the molecule may contribute to its ability participate in chemical reactions in the biological environment. This compound could potentially be developed into drugs for treating diseases such as inflammation.This compound may be used to develop drugs for diseases like inflammation. Imidazole-based drugs have been shown to have anti - inflammatory properties, and the overall structure of this compound might enhance or modify these properties.Imidazole-based medicines have been shown to possess anti-inflammatory properties. The overall structure of the compound could enhance or modify these qualities. It could also be investigated for its potential in treating certain types of cancers.It could be studied for its potential to treat certain types of cancer. Some imidazole derivatives have demonstrated anti - cancer activities by interfering with key cellular processes like cell division or angiogenesis.Some imidazole-derived compounds have shown anti-cancer activities by interfering key cellular processes such as cell division or angiogenesis.

In materials science, it could potentially be used in the synthesis of novel polymers.In materials science, this could be used to synthesize novel polymers. The acrylic acid group can participate in polymerization reactions.The acrylic acid group is involved in polymerization reactions. By incorporating (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride into a polymer matrix, unique properties can be imparted to the polymer. The imidazole group can introduce functions such as ion - binding capabilities.The imidazole moiety can be used to introduce functions like ion-binding capabilities. For instance, the resulting polymer might be useful in ion - exchange resins, where the imidazole moiety can interact with ions in solution.The resulting polymer could be useful in ion-exchange resins where the imidazole moiety interacts with ions in solutions. It could also enhance the mechanical or thermal properties of the polymer due to the specific interactions between the pendant groups of the polymer chains.It could also improve the mechanical or thermal properties due to the specific interaction between the pendant groups.

In chemical research, this compound can be used as a building block for the synthesis of more complex organic molecules.This compound can be used in chemical research as a building-block for the synthesis more complex organic molecules. The specific structure allows for various chemical modifications.The specific structure allows various chemical modifications. For example, the imidazole ring can be further functionalized through substitution reactions.The imidazole ring, for example, can be further functionalized by substitution reactions. This provides a way to create a library of related compounds with different properties, which can then be screened for various applications, whether in the development of new catalysts or in exploring new reaction pathways.This allows you to create a library with compounds that have different properties. These compounds can then be screened and analyzed for various applications. The ability to modify the molecule at different sites makes it a valuable tool in the hands of synthetic chemists to create molecules with tailored functions.It is a valuable tool for synthetic chemists because they can modify the molecule in different places to create molecules that have tailored functions. Overall, (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride holds promise in multiple scientific disciplines due to its unique chemical structure.

What are the properties of (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride?

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride has several properties.
First, in terms of its chemical structure, it contains an acrylic acid moiety, which imparts certain reactivity related to unsaturated carboxylic acids.It contains an acrylic-acid moiety in its chemical structure. This imparts a certain reactivity to carboxylic acid unsaturated acids. The double bond in the acrylic acid part can participate in addition reactions, such as reactions with electrophiles or radicals.The double bond of the acrylic acid can be involved in additional reactions, such a reactions with radicals or electrophiles. The carboxylic acid group is capable of acid - base reactions, forming salts with bases.The carboxylic group can undergo acid-base reactions, forming bases with bases.

The presence of the 4-(1H - imidazol-1 - ylmethyl)phenyl group also contributes unique characteristics.The presence of 4-(1H-imidazol-1-ylmethyl-phenyl)phenyl also contributes to the uniqueness. The imidazole ring has nitrogen atoms that can act as hydrogen bond acceptors and donors in certain environments.In certain environments, the nitrogen atoms in the imidazole ring can act as hydrogen-bond acceptors or donors. It can also participate in coordination chemistry due to the lone pairs on the nitrogen atoms.The lone pair of nitrogen atoms can also be used in coordination chemistry. The phenyl ring provides hydrophobicity to the molecule, influencing its solubility and interactions in different solvents and with biological membranes.The phenyl group gives the molecule hydrophobicity, which affects its solubility in different solvents as well as interactions with biological membranes.

Regarding its physical properties, as a hydrochloride salt, it is likely to be more soluble in polar solvents such as water compared to the free base form.As a hydrochloride, it will be more soluble in water than the free base. Hydrochloride salts generally have higher melting points compared to their non - salt counterparts.Hydrochloride Salts have a higher melting point than their non-salt counterparts. This is because the ionic interactions in the salt lattice require more energy to break.This is because the ionic interaction in the salt crystal requires more energy to break.

In a biological context, the imidazole moiety may have affinity for proteins and enzymes that have binding sites complementary to such heterocyclic structures.In a biological context the imidazole moiety could have affinity for enzymes and proteins that have complementary binding sites to such heterocyclic structure. The carboxylic acid group can potentially interact with proteins through electrostatic interactions or hydrogen bonding.The carboxylic group can interact with proteins via electrostatic interactions or through hydrogen bonds. These properties may endow the compound with biological activities.These properties could endow the compound biological activity. For example, it could potentially act as an inhibitor of certain enzymes or have an effect on cell signaling pathways.It could, for example, act as an enzyme inhibitor or have an impact on cell signaling pathways.

Overall, the combination of the acrylic acid, imidazole, and phenyl groups along with the hydrochloride salt formation gives (2E)-3-[4-(1H - imidazol-1 - ylmethyl)phenyl]acrylic acid hydrochloride a set of properties that can be exploited in various fields, including medicinal chemistry, organic synthesis, and materials science.

What is the synthesis method of (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride?

The synthesis of (2E)-3-[4-(1H -Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride can be achieved through the following general steps:
Step 1: Preparation of the intermediate with imidazole and benzyl - related compoundStep 1 : Preparation with imidazole benzyl-related compound
1. Start with 4 - (chloromethyl)benzaldehyde. React it with imidazole in an appropriate solvent such as N,N - dimethylformamide (DMF).React it in a suitable solvent, such as N-N-dimethylformamide (DMF), with imidazole. A base like potassium carbonate can be added to facilitate the reaction.To facilitate the reaction, a base such as potassium carbonate can also be added. The imidazole will substitute the chlorine atom on the benzyl chloride part via a nucleophilic substitution reaction.The imidazole will replace the chlorine atom in the benzyl part of the chloride via a nucleophilic reaction. This forms 4 - (1H - imidazol - 1 - ylmethyl)benzaldehyde.
2. The reaction conditions are typically carried out at an elevated temperature, around 60 - 80 degC, for several hours.Typically, the reaction is carried out at a temperature of 60-80 degC for several hours. After the reaction is complete, the product can be isolated by standard techniques.Standard techniques can be used to isolate the product after the reaction has finished. For example, the reaction mixture can be poured into water, and the resulting solid can be filtered, washed, and dried.The reaction mixture can, for example, be poured in water and the solid resulting from this can be washed and dried.

Step 2: Conversion of aldehyde to acrylic acid derivativeStep 2 : Conversion of Aldehyde into Acrylic Acid Derivative
1. Use the 4 - (1H - imidazol - 1 - ylmethyl)benzaldehyde obtained above and react it with a phosphorus ylide reagent, such as (carbethoxymethylene)triphenylphosphorane. This is a Wittig reaction.This is a Wittig Reaction. The reaction occurs in a suitable organic solvent like toluene or dichloromethane at room temperature or slightly elevated temperature.The reaction takes place in an organic solvent such as toluene, dichloromethane or a slightly higher temperature.
2. The aldehyde reacts with the ylide to form ethyl (2E)-3-[4-(1H - imidazol - 1 - ylmethyl)phenyl]acrylate. This reaction results in the formation of a double bond with the characteristic E - geometry.This reaction produces a double bond that has the E-geometry. After the reaction, the mixture can be purified by column chromatography to isolate the desired product.After the reaction, the mixture may be purified using column chromatography in order to isolate the desired product.
3. Next, the ethyl ester group in ethyl (2E)-3-[4-(1H - imidazol - 1 - ylmethyl)phenyl]acrylate is hydrolyzed. This can be achieved by reacting it with an aqueous solution of sodium hydroxide or potassium hydroxide in a solvent like ethanol or methanol - water mixture.This can be done by reacting the aqueous sodium hydroxide solution or potassium hydroxide with ethanol or methanol-water mixture. Heating the mixture gently for a few hours will promote the hydrolysis reaction, converting the ester to the carboxylic acid, (2E)-3-[4-(1H - imidazol - 1 - ylmethyl)phenyl]acrylic acid.
4. The resulting carboxylic acid can be isolated by acidifying the reaction mixture with hydrochloric acid, which will precipitate the product.The carboxylic acid that is precipitated can be isolated using hydrochloric or nitric acid. The solid can be filtered and washed.The solid can then be filtered and cleaned.

Step 3: Formation of the hydrochloride saltStep 3 : Formation of the Hydrochloride Salt
1. Dissolve the (2E)-3-[4-(1H - imidazol - 1 - ylmethyl)phenyl]acrylic acid in an appropriate organic solvent such as ethanol or isopropanol.
2. Slowly add a solution of hydrogen chloride gas in the same or a compatible solvent (e.g., ether saturated with HCl gas).Add a solution in ether or another solvent compatible with HCl slowly. The acid - base reaction between the carboxylic acid and the hydrogen chloride will form the hydrochloride salt of (2E)-3-[4-(1H - imidazol - 1 - ylmethyl)phenyl]acrylic acid.
3. The product can be isolated by filtration of the precipitated solid, followed by drying under vacuum to obtain the final (2E)-3-[4-(1H - imidazol - 1 - ylmethyl)phenyl]acrylic acid hydrochloride.

What are the safety precautions for handling (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride?

When handling (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride, the following safety precautions should be taken.
First, personal protective equipment is essential.Personal protective equipment is a must. Wear appropriate laboratory coats to prevent the chemical from coming into contact with regular clothing.Wear the appropriate laboratory coats in order to prevent the chemical coming into contact with your regular clothing. Safety goggles should be worn at all times to protect the eyes from potential splashes.Wear safety goggles to protect your eyes from possible splashes. Since the hands are very likely to be in contact with the substance during handling, chemical - resistant gloves made of materials like nitrile or neoprene should be worn.Chemical-resistant gloves made from materials such as nitrile or Neoprene are recommended for handling substances that may splash.

Second, proper ventilation is crucial.Second, it is important to have proper ventilation. Work in a well - ventilated area, preferably under a fume hood.Work in an area that is well-ventilated, preferably under the fume hood. This compound may release fumes or dust during weighing, mixing, or other handling operations.This compound can release dust or fumes during handling, mixing or weighing. The fume hood helps to remove these potentially harmful airborne particles and vapors, reducing the risk of inhalation.The fume hood removes these potentially harmful airborne particles, vapors and reduces the risk of inhalation. Inhalation of the chemical can cause respiratory irritation, and in severe cases, more serious health problems.Inhalation can cause respiratory irritation and, in severe cases, serious health problems.

Third, when storing the compound, keep it in a cool, dry place.Third, store the compound in a dry, cool place. Avoid storing it near sources of heat or ignition as it may be flammable or reactive under certain conditions.Avoid storing the compound near heat or ignition sources as it can be flammable under certain conditions. Also, store it in a properly labeled container to prevent confusion with other chemicals.Store it in a container that is clearly labeled to avoid confusion with other chemicals. The label should clearly indicate the name, chemical formula, and any relevant hazard warnings.Labels should clearly state the name, chemical formula and any relevant warnings.

Fourth, in case of skin contact, immediately remove any contaminated clothing and wash the affected area thoroughly with plenty of water for at least 15 minutes.In the event of skin contact, remove all contaminated clothing immediately and thoroughly wash the affected area with plenty of warm water for at least fifteen minutes. If irritation persists, seek medical attention. For eye contact, flush the eyes with copious amounts of water for at least 15 minutes, lifting the eyelids periodically to ensure complete rinsing, and then consult a doctor.If you have eye contact, rinse your eyes for at least 15 mins with plenty of water, lifting your eyelids to ensure that the entire eye is rinsing. Then consult a physician.

Finally, during disposal, follow all local regulations.Lastly, when disposing of the waste, make sure to follow all local regulations. Do not pour this chemical down the drain or discard it with regular waste.Do not dispose of this chemical in the regular garbage or down the drain. It should be disposed of in accordance with the proper chemical waste disposal procedures to prevent environmental contamination.To prevent contamination of the environment, it should be disposed according to the proper chemical waste disposal procedure.