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

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride (1:1) consists of two main parts: the organic acid part and the hydrochloride part.
Let's first look at the organic acid moiety.Let's start by looking at the organic acid moiety. The base structure is acrylic acid.The base structure of acrylic acid. Acrylic acid has a two - carbon double - bonded chain with a carboxylic acid group (-COOH) attached to one of the carbons.Acrylic acid is a double-bonded chain of two carbons with a carboxylic group (-COOH). In this compound, the hydrogen on the carbon adjacent to the carboxylic acid group of acrylic acid is replaced by a phenyl group.In this compound, a phenyl is substituted for the hydrogen on the carbon next to the carboxylic group of acrylic acid.

This phenyl group has a substitution at the para - position (the fourth position relative to the attachment point to the acrylic acid chain).This phenyl has a substitution in the para - position. (The fourth position relative to where the acrylic acid chain attaches). At this para - position, there is a methylene group (-CH2 -).This para - position contains a methylene (-CH2 +) group. This methylene group is then attached to an imidazole ring.This methylene is then attached to the imidazole ring. 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 in the imidazole ring is in the 1 - position and is attached to the methylene group, forming a -CH2 - N bond.One of the nitrogens in the imidazole is in the 1 position and is attached to a methylene group forming a –CH2 – N bond. The imidazole ring has a conjugated system of double bonds within the ring, which contributes to its stability.The imidazole has a conjugated double bond system within the ring that contributes to its stabilty.

The overall structure of the organic acid part has a planar or near - planar geometry due to the conjugation of double bonds in the acrylic acid part and the phenyl - imidazole system.The overall structure of organic acid has a near-planar geometry because of the conjugation between double bonds in the acrylic part and the phenyl-imidazole system. The carboxylic acid group can participate in hydrogen bonding and acid - base reactions.The carboxylic group can participate in acid-base reactions and hydrogen bonding.

The hydrochloride part comes from the reaction of the basic nitrogen in the molecule (most likely the nitrogen in the imidazole ring) with hydrochloric acid.The hydrochloride is formed by the reaction between the basic nitrogen (most likely, the nitrogen in imidazole rings) and hydrochloric acids. The nitrogen atom in the imidazole ring has a lone pair of electrons, which can accept a proton from hydrochloric acid.The imidazole ring nitrogen atom has a pair of electrons that can accept a pron from hydrochloric acids. When this happens, the nitrogen atom becomes positively charged, and the chloride ion (Cl -) from hydrochloric acid associates with this positively charged species to form the hydrochloride salt.The nitrogen atom in the imidazole ring becomes positively charged. The chloride ion from hydrochloric acids associates with the positively charged species and forms the hydrochloride. This salt formation can change the physical properties of the compound, such as its solubility in polar solvents like water, compared to the free base form of the organic acid.This salt formation can alter the physical properties of a compound, like its solubility in water or polar solvents, as compared to the free-base form of the acid. The presence of the hydrochloride also affects the compound's reactivity in certain chemical and biological environments.The presence of hydrochloride can also affect the compound's reactivity when used in certain chemical or biological environments. Overall, this compound combines the properties of the acrylic acid - phenyl - imidazole unit with the characteristics imparted by the hydrochloride salt formation.This compound combines properties of the acrylic-phenyl-imidazole unit and the characteristics imparted through the formation of hydrochloride salts.

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

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride (1:1) has several potential applications.
In the field of medicinal chemistry, it can serve as a key intermediate for the synthesis of novel pharmaceutical agents.It can be used as a key intermediary in the field of medicinal chemical to synthesize novel pharmaceutical agents. The imidazole moiety in its structure is known to interact with various biological targets.It is known that the imidazole moiety of its structure interacts with various biological targets. Imidazole-containing compounds often show affinity towards enzymes and receptors.Imidazole-containing molecules often have affinity for enzymes and receptors. For example, they can be designed to target protein kinases.They can be targeted at protein kinases, for example. By incorporating this particular acrylic acid hydrochloride derivative into a larger molecule, it may be possible to create drugs that can modulate kinase activity, which is crucial in many disease processes such as cancer.This particular acrylic acid hydrochloride can be incorporated into a larger drug molecule to modulate kinase activities, which are crucial in many diseases processes, such as cancer. In cancer cells, abnormal kinase activation can lead to uncontrolled cell growth and proliferation.In cancer cells abnormal kinase activity can lead to uncontrolled growth and proliferation. A drug derived from this compound could potentially inhibit the specific kinases involved, halting the cancer cell's growth.A drug derived this compound may inhibit the specific kinases, stopping the growth of cancer cells.

It may also have applications in the development of anti - inflammatory drugs.It could also be used in the development of anti-inflammatory drugs. The phenyl - acrylic acid part of the structure might contribute to anti - inflammatory properties.The phenyl-acrylic acid part of the compound may contribute to its anti-inflammatory properties. Some acrylic acid derivatives have been shown to interfere with the production of inflammatory mediators in the body.Some acrylic acid derivatives were shown to interfere with inflammatory mediator production in the body. The imidazole group can further enhance this effect by interacting with relevant cellular signaling pathways involved in the inflammatory response.The imidazole can enhance this effect further by interacting with relevant signaling pathways that are involved in the inflammation response. For instance, it could potentially block the activation of certain transcription factors that are responsible for upregulating the production of pro - inflammatory cytokines.It could, for example, block the activation certain transcription factors responsible for upregulating production of pro-inflammatory cytokines.

In materials science, this compound could potentially be used in the design of functional polymers.This compound could be used to design functional polymers in materials science. If it can be polymerized or incorporated into a polymer matrix, it may confer unique properties.It may have unique properties if it can be polymerized. The imidazole group can participate in various intermolecular interactions such as hydrogen bonding.The imidazole can participate in different intermolecular interactions, such as hydrogen bonds. This could be exploited to create polymers with specific self - assembly properties or enhanced adhesion.This could be used to create polymers that have enhanced adhesion or self-assembly properties. For example, in coatings, the presence of this compound could improve the adhesion of the coating to the substrate, making it more durable.In coatings, for example, the presence of the compound could improve adhesion between the coating and the substrate, resulting in a more durable coating. Additionally, the acidic group of the acrylic acid can be used for further chemical modifications, allowing for the tailoring of the polymer's properties according to specific requirements.The acidic group in the acrylic acid can also be used to modify the polymer according to the specific requirements.

Furthermore, in the area of chemical research as a ligand, it can be used in coordination chemistry.It can also be used as a ligand in the field of coordination chemistry. The imidazole and the double - bond in the acrylic acid part can coordinate with metal ions.The double-bond in the acrylic acid can coordinate with metals. This can lead to the formation of metal - organic complexes with interesting properties.This can lead the formation of metal-organic complexes that have interesting properties. These complexes could potentially be used in catalysis, where the unique structure of the ligand can influence the selectivity and activity of the metal - catalyzed reactions.These complexes can be used for catalysis where the unique structure and activity of metal-catalyzed reactions are affected by the unique structure of ligand. For example, in asymmetric catalysis, the chiral environment created by the ligand can direct the reaction to produce one enantiomer preferentially.In asymmetric catalysis for example, the chiral environment of the ligand could direct the reaction in a way that produces one enantiomer more than the other.

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

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride (1:1) has several notable properties.
Firstly, in terms of its chemical structure, it contains an acrylic acid moiety which contributes to its acidic nature.Its acidic nature is due to the acrylic acid moiety in its chemical structure. The presence of the imidazole - 1 - ylmethyl group attached to the phenyl ring imparts unique chemical reactivity.The imidazole- 1- ylmethyl group is attached to the phenyl rings and confers a unique chemical reactivity. The imidazole ring has nitrogen atoms that can participate in hydrogen bonding and other non - covalent interactions.The imidazole has nitrogen atoms which can participate in hydrogen bonds and other non-covalent interactions.

In terms of solubility, the hydrochloride salt form generally increases its solubility in polar solvents such as water.The hydrochloride salt form increases its solubility when it is dissolved in polar solvents like water. This is because the salt can dissociate into ions in aqueous media, facilitating its dissolution.The salt can dissociate in aqueous medium into ions, which facilitates its dissolution. The ionic nature due to the hydrochloride part also affects its partitioning between different phases.The hydrochloride component also has an ionic nature, which affects the partitioning of the salt between different phases.

Regarding its physical appearance, it is likely to be a solid, usually in the form of a powder.It is likely that it will appear as a solid. This usually takes the form of powder. The melting point is a characteristic physical property.The melting point is an important physical property. The presence of multiple functional groups and the salt formation can influence the melting behavior.The melting behavior can be affected by the presence of multiple functional group and salt formation. The intermolecular forces such as hydrogen bonding between the molecules, especially those involving the imidazole nitrogen atoms and the carboxylate group from the acrylic acid part, play a role in determining the melting point.The melting point is determined by the intermolecular forces, such as hydrogen bonds between molecules, particularly those involving imidazole nitrogen and carboxylate groups from the acrylic acid.

From a chemical reactivity perspective, the double bond in the acrylic acid part is prone to addition reactions.The double bond in the part of the acrylic acid is susceptible to addition reactions. For example, it can undergo Michael addition reactions with suitable nucleophiles.It can undergo Michael additions with nucleophiles. The imidazole ring can also participate in reactions such as N - alkylation or metal - coordination reactions.The imidazole rings can also be involved in reactions like N-alkylation or metal-coordination reactions. The acidic group can react with bases to form salts other than the hydrochloride.The acidic group can also react with bases in order to form other salts than hydrochloride.

In biological systems, the imidazole moiety is often recognized by proteins and enzymes due to its ability to mimic the side - chain of histidine, an amino acid.The imidazole moiety in biological systems is often recognized by enzymes and proteins due to its ability mimic the side-chain of histidine, a amino acid. This can potentially lead to interactions with biological targets, making it a compound of interest in drug discovery research.This can lead to interactions with biochemical targets, making this compound a compound of research interest in drug discovery. The overall molecule's properties can be tuned by further chemical modifications of the different functional groups present.Further chemical modifications to the functional groups can alter the properties of a molecule. These modifications can affect its solubility, reactivity, and biological activity.These modifications can influence its solubility and reactivity as well as its biological activity.

In summary, (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride (1:1) has a combination of properties related to its acidic nature, solubility as a salt, reactivity of its multiple functional groups, and potential biological interactions. These properties make it a versatile compound for various applications in organic synthesis, medicinal chemistry, and materials science.These properties make the compound versatile for a variety of applications in organic synthesis and medicinal chemistry.

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

The synthesis of (2E)-3-[4-(1H -Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride (1:1) typically involves the following general steps.
Step 1: Preparation of 4 - (chloromethyl)phenylacrylic acid
One common starting material could be 4 - methylphenylacrylic acid.A common starting material is 4 - methylphenylacrylic acids. Chlorination of the methyl group at the para - position of the phenyl ring is carried out.The methyl group is chlorinated at the para-position of the phenyl rings. This can be achieved using a chlorinating agent such as N - chlorosuccinimide (NCS) in the presence of a radical initiator like benzoyl peroxide.This can be done using a chlorinating compound such as N-chlorosuccinimide in the presence a radical initiator, like benzoylperoxide. The reaction is usually carried out in an organic solvent such as carbon tetrachloride under reflux conditions.The reaction is carried out under reflux conditions in an organic solvent, such as carbon tetrachloride. The methyl group undergoes radical substitution to form 4 - (chloromethyl)phenylacrylic acid.

Step 2: Reaction with imidazoleStep 2 : Reaction with imidazole
The 4 - (chloromethyl)phenylacrylic acid obtained in the previous step is then reacted with imidazole. This is a nucleophilic substitution reaction.This is a nucleophilic replacement reaction. Imidazole, acting as a nucleophile, attacks the chloromethyl group.Imidazole acts as a nucleophile and attacks the chloromethyl groups. The reaction is often carried out in a polar aprotic solvent like dimethylformamide (DMF) or dimethyl sulfoxide (DMSO) in the presence of a base such as potassium carbonate.In the presence of a potassium carbonate base, the reaction is usually carried out in a polar aprotic solution such as dimethylformamide or dimethyl sulfoxide. The base helps to deprotonate imidazole, enhancing its nucleophilicity.The base enhances the nucleophilicity of imidazole by deprotonating it. After the reaction, the product (2E)-3-[4-(1H -Imidazol-1-ylmethyl)phenyl]acrylic acid is obtained in its free - base form.

Step 3: Formation of the hydrochloride saltStep 3 : Formation of the Hydrochloride Salt
To obtain the hydrochloride salt (1:1), the free - base product from step 2 is treated with hydrochloric acid.Hydrochloric acid is used to treat the free-base product from step 2. This can be done by dissolving the free - base in an appropriate organic solvent like ethanol or dichloromethane.This can be achieved by dissolving free-base in an organic solvent such as ethanol or dichloromethane. Hydrochloric acid gas or a solution of hydrochloric acid in an organic solvent is then added dropwise.Drop by drop, hydrochloric gas or a hydrochloric solution in an organic solvent are added. The resulting mixture is stirred until the formation of the hydrochloride salt is complete.The mixture is then stirred until it forms the hydrochloride. The product can be isolated by filtration, followed by washing with a suitable solvent to remove any impurities and then dried under vacuum to obtain pure (2E)-3-[4-(1H -Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride (1:1).

Throughout the synthesis process, careful monitoring of reaction conditions such as temperature, reaction time, and reagent stoichiometry is crucial to ensure high yields and purity of the final product.To ensure high yields and purity, it is important to monitor the reaction conditions, such as temperature, reaction times, and reagent ratios, throughout the synthesis process. Additionally, appropriate purification techniques like recrystallization may be employed to further purify the product if necessary.If necessary, purification techniques such as recrystallization can be used to further purify a product.

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

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride (1:1) may pose several safety hazards.
First, in terms of health hazards, it could potentially be an irritant.It could be an irritant. Contact with the skin might lead to skin irritation, presenting as redness, itching, and possible inflammation.Contact with the skin can cause skin irritation. This could manifest as redness, itchiness, and even inflammation. This occurs as the chemical can disrupt the normal physiological state of the skin cells.The chemical can disrupt the normal physiology of the skin. If it gets into the eyes, it can cause even more severe irritation, potentially leading to pain, watering, and damage to the delicate eye tissues.If it gets in the eyes, the irritation can be even worse, causing pain, watering and damage to delicate eye tissues. Inhalation of its dust or fumes may irritate the respiratory tract, resulting in coughing, shortness of breath, and discomfort in the lungs.Inhalation of dust or fumes can irritate respiratory tracts, causing coughing, shortness breath, and discomfort to the lungs. Prolonged or repeated exposure via inhalation could potentially lead to more serious respiratory problems over time.Inhaling the dust or fumes can cause respiratory problems.

Ingestion of this compound is also a significant concern.Ingestion of the compound is also a major concern. Once ingested, it can cause irritation and damage to the digestive system.Once ingested it can cause irritation to the digestive tract and damage. It may lead to symptoms such as nausea, vomiting, abdominal pain, and potentially more severe internal organ damage depending on the quantity consumed.It can cause symptoms such as nausea and vomiting, abdominal pain and, depending on the amount consumed, more severe damage to internal organs.

From an environmental perspective, if (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid hydrochloride (1:1) is released into the environment, it could have an impact on aquatic life. It may be toxic to fish, invertebrates, and other organisms in water bodies.It could be toxic to fish and other organisms living in water bodies. The chemical may accumulate in the tissues of these organisms, disrupting their normal biological functions.The chemical can accumulate in the tissues, disrupting normal biological functions. In soil, it could potentially affect soil microorganisms, which play a crucial role in soil fertility and ecological balance.In soil, the chemical could affect soil microorganisms that play a vital role in soil fertility. This could then have a cascading effect on plant growth and the overall terrestrial ecosystem.This could have a cascading impact on plant growth and overall terrestrial ecosystem.

In a laboratory or industrial setting, there is also a risk of fire or explosion under certain conditions.Under certain conditions, there is a risk of explosion or fire in a laboratory setting or industrial setting. Although not typically a highly flammable compound in normal circumstances, if it is in a finely divided form as dust and comes into contact with an ignition source in an oxygen - rich environment, there is a potential for a dust explosion.Dust explosions can occur even though the compound is not normally flammable. If it is finely divided and in contact with an ignition source, in an oxygen-rich environment, then there is a risk. Additionally, improper storage, such as exposure to high temperatures or incompatible substances, could lead to chemical reactions that may generate heat, pressure, or release of harmful gases, posing risks to workers and the surrounding area.In addition, improper storage such as exposure to heat or incompatible substances could lead to chemical reaction that can generate heat, pressure or release harmful gases. This poses a risk to workers and the area.