What is the chemical structure of (E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride?

Let's break down the name to understand the chemical structure of (E)-3-((R)-4-pyrrolidin - 2 - yl - phenyl) acrylic acid methyl ester hydrochloride step by step.
First, consider the base structure without the hydrochloride part.Consider the base structure first, without the hydrochloride.

The "acrylic acid methyl ester" part indicates a structure based on acrylic acid where the carboxylic acid group (-COOH) has been esterified with methanol.The "acrylic methyl ester" part refers to a structure that is based on acrylic acids where the carboxylic group (-COOH), has been esterified by methanol. So, we have a double - bonded carbon structure with a -COOCH3 group attached to one of the double - bonded carbons.We have a double-bonded carbon structure, with a methanol esterified -COOCH3 attached to one of those double-bonded carbons. The general formula for acrylic acid methyl ester is CH2=CH - COOCH3.The general formula of acrylic acid methyl esters is CH2=CH-COOCH3.

Next, we have the "3 - ((R)-4 - pyrrolidin - 2 - yl - phenyl)" group attached to the acrylic acid methyl ester part.The "3 – ((R-4) - Pyrolidin – 2 – yl – phenyl]" group is then attached to the acrylic methyl ester. The number 3 indicates that this complex group is attached to the third carbon of the acrylic acid methyl ester backbone (counting from the carbon of the double bond closest to the -COOCH3 group).The number 3 indicates this complex group is attached the third carbon of acrylic acid methyl esters backbone (counting the carbon closest to the double bond).

The "((R)-4 - pyrrolidin - 2 - yl - phenyl)" part consists of a phenyl ring.The "((R-)-4-pyrrolidin- 2-yl-phenyl) part" is made up of a phenyl-ring. A phenyl ring is a six - membered aromatic ring (C6H5).A phenyl is a six-membered aromatic ring. Attached to the 4 - position of the phenyl ring is a pyrrolidin - 2 - yl group.A pyrrolidin-2-yl group is attached to the 4 – position of the phenyl. A pyrrolidine is a five - membered heterocyclic ring with one nitrogen atom.A pyrrolidine consists of a five-membered heterocyclic chain with one nitrogen atom. In the (R)-configuration, the pyrrolidin - 2 - yl group has a specific spatial arrangement around the chiral carbon at the 2 - position of the pyrrolidine ring.In the (R-configuration, pyrrolidin- 2 – yl groups have a specific spatial configuration around the chiral ring carbon at the 2 position.

The double bond in the acrylic acid part has an (E)-configuration.The double bond of the acrylic acid component has a (E) configuration. In (E)-configuration, the higher - priority groups on each side of the double bond are on opposite sides.In (E) configuration, the higher-priority groups on either side of the double-bond are on the opposite sides.

Now, considering the hydrochloride part.Consider the hydrochloride. The compound as a whole has a basic nitrogen atom in the pyrrolidine ring.The pyrrolidine ring of the compound has a basic nitrogen. When it reacts with hydrochloric acid (HCl), the nitrogen atom of the pyrrolidine ring gets protonated, and a chloride ion (Cl - ) associates with the positively charged nitrogen to form the hydrochloride salt.When it reacts to hydrochloric (HCl), a protonated nitrogen atom in the pyrrolidine ring is formed. A chloride ion, (Cl - ), then forms with the positively charged nitrogen atom to form the hydrochloride.

In summary, the structure has an acrylic acid methyl ester backbone with a (R)-4 - pyrrolidin - 2 - yl - phenyl group attached at the 3 - position of the acrylic acid part, and due to the formation of the hydrochloride salt, the nitrogen in the pyrrolidine ring is protonated and associated with a chloride ion.The structure is an acrylic acid methyl ester backbone with (R)-4-pyrrolidin- 2 yl-phenyl groups attached at the 3 position of the acrylic part. Due to the formation of a hydrochloride, the nitrogen of the pyrrolidine rings is protonated, and associated with a chlorine ion.

What are the main applications of (E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride?

(E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride is likely to have applications in the field of pharmaceuticals.
In drug discovery, compounds with such structures can serve as lead compounds.Lead compounds can be compounds with these structures in drug discovery. The pyrrolidinyl and phenyl moieties along with the acrylic acid ester functional groups can interact with specific biological targets.The pyrrolidinyl, phenyl and acrylic acid ester functional group moieties can interact with biological targets. For example, they may interact with receptors in the body.They may, for example, interact with receptors within the body. The chiral center (the (R)-configuration in the pyrrolidin-2-yl group) can play a crucial role in determining the compound's binding affinity and selectivity towards a particular receptor or enzyme.The chiral centre (the (R-configuration) in the pyrrolidin-2 -yl group) is a key factor in determining a compound's affinity and selectivity for a specific receptor or enzyme. This selectivity is highly valuable in developing drugs that target specific physiological pathways without causing excessive off - target effects.This selectivity is extremely valuable when developing drugs that target specific pathways in the body without causing off-target effects.

It could potentially be used in the development of drugs for neurological disorders.It could be used to develop drugs for neurological disorders. The pyrrolidine ring is present in many bioactive compounds that interact with neurotransmitter systems.The pyrrolidine is present in a number of bioactive compounds which interact with neurotransmitter system. By modifying the structure around this ring, as in the case of (E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride, researchers may be able to create molecules that can modulate neurotransmitter release or reuptake. This could be beneficial for treating conditions like depression, where there are imbalances in neurotransmitter levels.This could be useful for treating conditions such as depression, where neurotransmitter imbalances are present.

In addition, this compound may have applications in the development of anti - inflammatory drugs.This compound could also be used in the development of anti-inflammatory drugs. The acrylic acid ester part of the molecule may be involved in inhibiting certain inflammatory pathways.The acrylic acid ester portion of the molecule could be involved in inhibiting some inflammatory pathways. By blocking key enzymes or receptors in the inflammatory cascade, it could help reduce inflammation in the body.It could reduce inflammation by blocking key enzymes and receptors involved in the inflammatory cascade. This could be useful for treating diseases such as rheumatoid arthritis or inflammatory bowel disease.This could be used to treat diseases like rheumatoid arthritic or inflammatory bowel disorder.

Moreover, in medicinal chemistry research, it can be used as a building block.It can also be used in the research of medicinal chemistry as a building-block. Chemists can perform various chemical reactions on this compound to further modify its structure.This compound can be modified further by chemists using various chemical reactions. They can add or remove functional groups, change the length of the side chains, or modify the ring systems.They can modify the ring system, add or remove functional group, change the side chain length, or alter the side chains. These modifications can then be tested for their effects on biological activity, solubility, and pharmacokinetic properties, leading to the discovery of more effective and safer drugs.These modifications can be tested to see if they have an impact on biological activity, soluble and pharmacokinetic properties. This will lead to the discovery of safer and more effective drugs. Overall, this compound has the potential to contribute significantly to the development of novel therapeutics.This compound has the potential of contributing significantly to the development novel therapeutics.

What are the potential side effects of (E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride?

(E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride is likely a relatively specialized chemical compound, and specific side - effect data might be limited in publicly accessible general sources as it may be a research - specific or emerging molecule.
However, based on the chemical structure and knowledge of related compounds, we can make some predictions.We can make some predictions based on the chemical structures and related compounds. The pyrrolidine group in the molecule may have implications.The pyrrolidine molecular group may have important implications. Compounds containing pyrrolidine moieties can sometimes interact with the central nervous system.Compounds with pyrrolidine moieties may sometimes interact with the nervous system. Side effects could potentially include neurological symptoms such as dizziness, drowsiness, or headaches.Neurological symptoms, such as headaches, dizziness, and drowsiness could be side effects. This is because pyrrolidine - containing drugs can interact with neurotransmitter systems.Because pyrrolidine-containing drugs can interact neurotransmitter system. For example, they might interfere with the reuptake or release of neurotransmitters like serotonin or dopamine, which are crucial for maintaining normal brain function.They could, for example, interfere with the reuptake of neurotransmitters such as serotonin and dopamine that are essential to maintaining normal brain function.

The ester group, specifically the methyl ester in this case, can be hydrolyzed in the body.The body can hydrolyze the ester group in this case the methyl ester. Hydrolysis of esters can lead to the formation of carboxylic acids and alcohols.Hydrolysis of esters may lead to the formation carboxylic acids or alcohols. In this case, the formation of the carboxylic acid derivative of the parent compound might have an impact on the body's acid - base balance.In this case, it is possible that the carboxylic acid derivative could have an effect on the body's pH balance. If the body is unable to properly metabolize or excrete the products of ester hydrolysis, it could potentially cause mild metabolic acidosis.If the body cannot properly metabolize and excrete the ester hydrolysis products, it may cause mild metabolic acidsosis. Symptoms of mild metabolic acidosis may include fatigue, nausea, and shortness of breath.Mild metabolic acidosis can cause fatigue, nausea and shortness-of-breath.

The hydrochloride salt form of the compound means that in an aqueous environment, such as in the body, it will dissociate into its cationic and anionic forms.In an aqueous atmosphere, such as the one in the body, the hydrochloride salt will dissociate to its cationic, and anionic, forms. The chloride anion is relatively common in the body, but an excessive intake or improper handling of the chloride ions from the dissociation of this compound could potentially disrupt the body's electrolyte balance.The chloride anion, which is common in the human body, can disrupt the electrolyte equilibrium of the body if it is ingested excessively or handled improperly. This could lead to symptoms like muscle cramps, irregular heart rhythms, or changes in blood pressure.This could cause symptoms such as muscle cramps, irregular rhythms of the heart, or changes in bloodpressure. Additionally, the cationic part of the molecule, with its complex organic structure, may also interact with various proteins and enzymes in the body.The cationic portion of the molecule may also interact, due to its complex organic structure with proteins and enzymes within the body. These interactions could be off - target effects, potentially inhibiting or enhancing the activity of key enzymes involved in normal physiological processes, which may in turn lead to a wide range of side effects depending on the enzymes affected.These interactions may have off-target effects, such as inhibiting or increasing the activity of key proteins involved in physiological processes. This could lead to a variety of side effects, depending on which enzymes are affected. Overall, more in - depth research and pre - clinical or clinical studies would be needed to accurately determine the full spectrum of potential side effects of this specific compound.To accurately determine the full spectrum and potential side effects, further research would be required.

How is (E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride synthesized?

The synthesis of (E)-3-((R)-4-(pyrrolidin-2-yl)phenyl)acrylic acid methyl ester hydrochloride can be achieved through several steps. Here is a general approach:Here is a general method:
Step 1: Preparation of (R)-4-(pyrrolidin - 2 - yl)benzaldehydeStep 1 : Preparation (R)-4(pyrrolidin-2-yl)benzaldehyde
1. Start with 4 - bromobenzaldehyde.Start with 4 – bromobenzaldehyde. React it with (R)-pyrrolidin - 2 - yl - boronic acid derivative in the presence of a palladium - based catalyst such as Pd(PPh3)4 (tetrakis(triphenylphosphine)palladium(0)) and a base like potassium carbonate in an appropriate solvent like toluene - water mixture. This Suzuki - Miyaura coupling reaction will result in the formation of (R)-4-(pyrrolidin - 2 - yl)benzaldehyde.This Suzuki-Miyaura coupling will result in (R)-4(pyrrolidin-2-yl)benzaldehyde. The reaction conditions typically require heating under reflux for several hours to drive the reaction to completion.The reaction is usually completed by heating the reaction under reflux for several hour.

Step 2: Knoevenagel Condensation
1. Take the (R)-4-(pyrrolidin - 2 - yl)benzaldehyde obtained from the previous step and react it with methyl acrylate in the presence of a weak base such as piperidine and a catalytic amount of acetic acid.React the (R),4-(pyrrolidin-2-yl)benzaldehyde from the previous step with methylacrylate, in the presence a weak base like piperidine and catalytic amounts of acetic. The reaction is carried out in a suitable solvent like ethanol.The reaction takes place in ethanol or another suitable solvent. This Knoevenagel condensation reaction leads to the formation of (E)-3-((R)-4-(pyrrolidin - 2 - yl)phenyl)acrylic acid methyl ester. The reaction mixture is usually stirred at room temperature or slightly elevated temperature for a certain period until the reaction reaches completion as monitored by techniques like thin - layer chromatography (TLC).The reaction mixture must be stirred at room or slightly elevated temperatures for a period of time until the reaction is complete as monitored by thin-layer chromatography.

Step 3: Formation of the Hydrochloride SaltStep 3 - Formation of the Hydrochloride salt
1. Dissolve the (E)-3-((R)-4-(pyrrolidin - 2 - yl)phenyl)acrylic acid methyl ester in an appropriate organic solvent such as diethyl ether or dichloromethane.
2. Bubble dry hydrogen chloride gas through the solution.Bubble dry hydrogen chloride through the solution. The hydrogen chloride gas will react with the basic nitrogen atom in the pyrrolidine ring of the ester compound to form the hydrochloride salt.The hydrogen chloride will react with the basic Nitrogen atom in pyrrolidine ring to form the salt. The progress of the reaction can be observed by the formation of a precipitate.The precipitate formed during the reaction is a good indicator of the progress of the reaction. Once the precipitation is complete, the product can be isolated by filtration, washed with cold solvent to remove any impurities, and then dried under vacuum to obtain the pure (E)-3-((R)-4-(pyrrolidin - 2 - yl)phenyl)acrylic acid methyl ester hydrochloride.

Throughout the synthesis process, it is crucial to ensure proper purification at each step to obtain a high - quality final product.Purification is essential at every stage of the synthesis to produce a high-quality final product. Characterization of the intermediate and final products can be done using techniques such as nuclear magnetic resonance (NMR) spectroscopy, infrared (IR) spectroscopy, and mass spectrometry to confirm their structures.The intermediate and final products are characterized using techniques like nuclear magnetic resonance spectroscopy (NMR), infrared spectroscopy (IR) and mass spectrometry.

What is the stability and shelf life of (E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride?

The stability and shelf life of (E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride can be influenced by several factors.
Firstly, storage conditions play a crucial role.First, the storage conditions are crucial. Generally, this compound should be stored in a cool, dry place.This compound should generally be stored in a dry, cool place. High temperatures can accelerate chemical reactions, potentially leading to degradation.High temperatures can speed up chemical reactions and lead to degradation. For instance, elevated temperatures might cause the hydrolysis of the ester group in the molecule.As an example, high temperatures could cause the hydrolysis in the ester group of the molecule. Hydrolysis could break the ester bond, converting the methyl ester into the corresponding carboxylic acid and methanol.Hydrolysis can break the ester bonds, converting methyl esters into carboxylic acids and methanol. This would not only change the chemical structure but also affect the functionality and purity of the compound.This would not only affect the chemical structure, but also the functionality and purity.

Moisture is another significant factor.Moisture plays a significant role. Hydrochloride salts like this one are prone to interacting with water.Salts containing hydrochloride, such as this one, are susceptible to interaction with water. Water can initiate reactions such as the dissociation of the hydrochloride salt, which may lead to the release of hydrogen chloride gas over time.Water can cause reactions, such as the dissociation or the salt hydrochloride. This may eventually lead to the release hydrogen chloride gas. This not only changes the chemical nature of the compound but can also pose safety risks due to the corrosive nature of hydrogen chloride.The compound's chemical composition is altered, but it can also be dangerous due to its corrosive properties. In a humid environment, the compound may absorb water, which could lead to clumping and changes in its physical state, further affecting its stability.In a humid atmosphere, the compound can absorb water. This could lead to clumping or changes in its physical condition, further affecting stability.

Light can also impact the stability.The light can also affect the stability. Some organic compounds are photosensitive, and (E)-3-((R)-4-pyrrolidin-2-yl-phenyl) acrylic acid methyl ester hydrochloride may be no exception. Photochemical reactions can occur when the compound is exposed to light, especially ultraviolet light.When the compound is exposed, particularly to ultraviolet light, photochemical reactions can occur. These reactions can result in the formation of new chemical species through processes like bond cleavage or rearrangement.These reactions can lead to the formation of new chemical compounds through processes such as bond cleavage and rearrangement. This could lead to a decrease in the purity of the compound and a change in its properties.This could result in a decrease in purity and a change to the properties of the compound.

Regarding the shelf life, without specific experimental data, it is difficult to provide an exact figure.It is difficult to give an exact shelf life without experimental data. However, under optimal storage conditions - cool, dry, and protected from light - it may have a relatively long shelf life, perhaps several months to a year.Under optimal storage conditions, such as cool, dry and protected from light, it may have a relatively longer shelf life. It could be several months or even a year. But if the storage conditions deviate from the ideal, the shelf life could be significantly shortened.If the storage conditions are not ideal, then the shelf life can be drastically reduced. For example, if stored at high temperatures and high humidity, degradation could start to occur within weeks.If stored at high humidity and temperatures, for example, degradation can start within weeks. Regular quality control checks, such as analyzing the purity of the compound using techniques like high - performance liquid chromatography (HPLC), are necessary to accurately determine its remaining shelf life and ensure its suitability for use.To accurately determine the remaining shelf life of the compound and ensure its suitability, regular quality control checks are required. For example, analyzing the purity using techniques such as high-performance liquid chromatography.