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Product Name | (2E)-3-{6-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid |
Cas Number | 352665-43-1 |
Formula | C19H20N2O2 |
Molar Mass | 308.38 |
Melting Point | Not specified |
Boiling Point | Not specified |
Density | Not specified |
Solubility | Not specified |
Appearance | Not specified |
Specific Rotation | Not specified |
Flash Point | Not specified |
Refractive Index | Not specified |
Pka | Not specified |
Logp | Not specified |
What is the chemical structure of (2E)-3-{6-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid?
(2E)-3-6-[(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen-1 - yl]-2 - pyridinylacrylic acid is a complex organic compound.The complex organic compound (2E)-36-[(1E-4-Methylphenyl-)-3-(1-pyrrolidinyl-)-1 propen-1 yl]-2-pyridinylacrylic is a complex chemical compound.
Let's break down its structure description step by step.Let's break it down step by step. First, consider the "acrylic acid" part.Consider the "acrylic" part. Acrylic acid has the basic structure of a two - carbon unsaturated carboxylic acid.Acrylic acid is a carboxylic acid with a basic structure of two-carbon unsaturated. It consists of a vinyl group (CH2=CH -) attached to a carboxyl group (-COOH).It is composed of a vinyl group attached to a carboxyl (-COOH) group. The "E" in (2E) indicates the configuration around the double bond in the acrylic acid part.The "E" in 2E indicates the configuration of the double bond around the acrylic acid. In an E - configuration, the higher - priority groups are on opposite sides of the double bond.In an E-configuration, the higher-priority groups are on the opposite side of the double-bond.
Moving on to the substituent on the acrylic acid's carbon 3.The substituent is placed on the carbon 3 of the acrylic acid. The group is 6-[(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen-1 - yl]-2 - pyridinyl.The group is 6 - [(1E),-1-(4-Methylphenyl),-3-(1-pyrrolidinyl),-1 – propen-1 – yl]-2-pyridinyl. The pyridinyl group is a six - membered aromatic heterocyclic ring containing nitrogen.The pyridinyl ring is a six-membered aromatic heterocyclic group containing nitrogen. Here, it is attached to the acrylic acid through the carbon at position 2 of the pyridine ring.It is attached to acrylic acid at position 2 through the carbon of the pyridine.
On the carbon at position 6 of the pyridine ring, there is a more complex substituent.A more complex substituent is present on the carbon at position six of the pyridine. This substituent contains a propenyl - like structure.This substituent has a structure that is similar to propenyl. The (1E) - 1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen-1 - yl part has a double bond with an E - configuration.The double bond in the (1E) – 1-(4-Methylphenyl), 3-(1-pyrrolidinyl),-1-propen-1-yl part is E-configured. The 1 - (4 - Methylphenyl) part means that a phenyl ring with a methyl group at the para position (4 - position) is attached to the first carbon of the propenyl chain.The 1 – (4 – Methylphenyl), part indicates that a phenyl with a methyl group in the para position (4-position) is attached to a first carbon of the chain. The 3 - (1 - pyrrolidinyl) part indicates that a pyrrolidine ring (a five - membered heterocyclic ring with one nitrogen atom) is attached to the third carbon of the propenyl chain.The 3 – (1 – pyrrolidinyl), part indicates that a heterocyclic five-membered ring with a nitrogen atom is attached to the third carbon in the propenyl ring.
In summary, the chemical structure of (2E)-3-6-[(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen-1 - yl]-2 - pyridinylacrylic acid combines an acrylic acid moiety with a complex pyridine - based substituent, which in turn has a phenyl - and pyrrolidine - containing propenyl side - chain.The chemical structure of (2E-3)-3-6[(1E-1)-1-(4-Methylphenyl),-3-(1-pyrrolidinyl),-1 – propen-1 – yl]-2-pyridinylacrylic acids combines an acrylic - acid moiety with complex pyridine-based substituents, which have a phenyl- and pyrrolidine-containing propenyl-side-chain. The E - configurations around the double bonds play important roles in determining the overall shape and physical properties of this compound.The E- configurations around double bonds are important in determining this compound's shape and physical properties. This type of structure might be designed for specific biological or chemical activities, such as binding to certain receptors in a biological system due to its unique shape and the presence of different functional groups like the carboxyl group, aromatic rings, and the nitrogen - containing heterocyclic rings.This type of structure may be designed to perform specific biological or chemical functions, such as binding with certain receptors within a biological system, due to its unique form and the presence different functional groups, like the carboxyl, aromatic rings, and nitrogen-containing heterocyclic ring.
What are the applications of (2E)-3-{6-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid?
(2E)-3-6-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinylacrylic acid is likely a compound with specific chemical and biological properties that can have several applications.
In the field of medicinal chemistry, it may act as a lead compound for drug development.It may be used as a lead compound in the field of medicinal chemical. Its unique structure might allow it to interact with specific biological targets in the body.Its unique structure may allow it to interact specifically with biological targets within the body. For example, it could potentially bind to certain enzymes or receptors.It could bind to certain receptors or enzymes. If it can bind to enzymes involved in disease - related pathways, it might be developed into an inhibitor.It could be developed into an inhibitor if it can bind to the enzymes that are involved in disease-related pathways. In cancer research, some compounds with similar structural features can target kinases that are overactive in cancer cells, thereby inhibiting cell growth and proliferation.In cancer research, certain compounds with similar structures can target kinases which are overactive in tumour cells, thereby reducing cell growth and proliferation.
It could also have applications in the area of anti - inflammatory drugs.It could also be used as an anti-inflammatory drug. By interacting with receptors or enzymes involved in the inflammatory response, such as cyclooxygenases or cytokines, it may help reduce inflammation in the body.It may reduce inflammation by interacting with receptors and enzymes that are involved in the inflammatory reaction, such as cyclooxygenases and cytokines. This could be useful in treating conditions like arthritis or other inflammatory disorders.This could be used to treat conditions such as arthritis or other inflammatory diseases.
In the realm of organic synthesis, this compound can serve as an important intermediate.This compound can be used as an intermediate in the organic synthesis. Chemists can use it to create more complex molecules.Chemists use it to create complex molecules. Its functional groups, such as the acrylic acid moiety and the pyridinyl - substituted propenyl group, can participate in various chemical reactions.Its functional groups such as the acrylic-acid moiety and pyridinyl-substituted propenyl can be used in various chemical reactions. For instance, the acrylic acid group can undergo polymerization reactions, which could be exploited to create polymers with specific properties.The acrylic acid group, for example, can undergo polymerization reaction, which could be exploited in order to create polymers that have specific properties. These polymers might find use in materials science, perhaps as components in coatings or adhesives.These polymers could be used in materials science as components in coatings and adhesives.
Furthermore, in the study of chemical biology, this compound can be used to probe biological systems.This compound can also be used in the study chemical biology to probe biological systems. Scientists can label it with a detectable tag, such as a fluorescent molecule, and then track its movement and interactions within cells.Scientists can tag it with a detectable molecule such as fluorescent and then track its movements and interactions within the cells. This can provide insights into how cells process and respond to such molecules, which in turn can help in understanding fundamental biological processes.This can give scientists insights into the way cells respond and process such molecules. This in turn can help them understand fundamental biological processes. Overall, while its exact applications would require further in - depth research, its unique structure holds promise for multiple areas of study and potential practical uses.While further research is needed to determine its exact applications, its unique structure has the potential for many areas of study and practical uses.
What are the properties of (2E)-3-{6-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid?
(2E)-3-6-[(1E)-1-(4-Methylphenyl)-3-(1 -pyrrolidinyl)-1 -propen-1 -yl]-2 -pyridinylacrylic acid likely has several important properties.
Firstly, in terms of its physical properties, it is likely a solid at room temperature due to the relatively large and complex molecular structure.It is likely to be a solid due to its relatively large and complex molecule structure. The presence of multiple aromatic rings, like the 4 -methylphenyl and pyridinyl groups, as well as the pyrrolidinyl ring, contributes to its non -volatile nature.The presence of multiple aromatic ring groups, such as the 4-methylphenyl, pyridinyl, and pyrrolidinyl rings, contributes to the non-volatile character. The melting point would be determined by the strength of intermolecular forces.The strength of the intermolecular forces would determine the melting point. The intermolecular forces include van der Waals forces, which are significant due to the large surface area of the molecule, and potentially hydrogen - bonding if the carboxylic acid group interacts with other molecules.Intermolecular forces can include van der Waals force, which is significant due to the large area of the molecule. They could also include hydrogen-bonding if carboxylic acid groups interact with other molecules.
The chemical reactivity of this compound is influenced by its functional groups.The functional groups of this compound influence its chemical reactivity. The carboxylic acid group (-COOH) is highly reactive.The carboxylic group (-COOH), is highly reactive. It can participate in acid - base reactions, donating a proton in the presence of a base to form a carboxylate salt.It can participate in acid-base reactions, donating an electron in the presence a base in order to form a salt of carboxylate. This property can be exploited in the synthesis of derivatives or in separation processes.This property can be used in the synthesis or separation of derivatives. For example, it can react with metal hydroxides to form metal carboxylates.It can, for example, react with metal hydroxides in order to form metal carboxylates.
The double bonds in the structure, both in the acrylic acid moiety and in the [(1E)-1-(4 -methylphenyl)-3-(1 -pyrrolidinyl)-1 -propen-1 -yl] part, are sites of reactivity.Reactivity is a result of the double bonds, both in [(1E )-1-(4-methylphenyl),-3-(1-pyrrolidinyl),-1,propen-1,yl] and the acrylic acid moiety. They can undergo addition reactions.They can undergo addition reaction. For instance, electrophilic addition reactions can occur where an electrophile attacks the electron - rich double bond.Electrophilic addition reactions, for example, can occur when an electrophile attacks a double bond rich in electrons. This could involve reactions with halogens, hydrogen halides, or other electrophilic reagents.This could include reactions with halogens or hydrogen halides. The conjugated double - bond system in the molecule may also confer some degree of stability, but at the same time, it can enhance the reactivity towards certain reagents through resonance - stabilized reaction intermediates.The double-bond system of the molecule can also confer a certain degree of stability. However, it may also enhance reactivity to certain reagents by resonance-stabilized reaction intermediates.
The pyrrolidinyl group can act as a basic site due to the lone pair of electrons on the nitrogen atom.The nitrogen atom's lone electron pair can act as the basic site for the pyrrolidinyl ring. It can participate in reactions such as protonation in acidic media or form complexes with metal ions.It can be involved in reactions like protonation or complex formation with metal ions. The 4 -methylphenyl and pyridinyl aromatic rings are relatively stable but can undergo electrophilic aromatic substitution reactions.The 4 -methylphenyl rings and the pyridinyl rings are relatively stable, but they can undergo electrophilic aromatic substitute reactions. These reactions can be used to further functionalize the molecule, introducing additional groups to modify its properties for specific applications, such as in medicinal chemistry where the addition of certain substituents can improve drug - receptor interactions.These reactions can be used for further functionalizing the molecule by adding additional groups. This can be useful in specific applications such as medicinal chemistry, where the additions of certain substituents improve drug-receptor interactions. Overall, these properties make (2E)-3-6-[(1E)-1-(4 -methylphenyl)-3-(1 -pyrrolidinyl)-1 -propen-1 -yl]-2 -pyridinylacrylic acid a potentially versatile compound in organic synthesis and related fields.These properties make (2E-6-[(1E-1)-(4-methylphenyl),-3-(1-pyrrolidinyl),-1 –propen-1 –yl]-2-pyridinylacrylic an extremely versatile compound for organic synthesis.
How is (2E)-3-{6-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid synthesized?
The synthesis of (2E)-3-6-[(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen - 1 - yl]-2 - pyridinylacrylic acid likely involves multiple steps.Multiple steps are likely involved in the synthesis of (2E), 3-6-[(1E),-1-(4-Methylphenyl),-3-(1-pyrrolidinyl),-1-propen -1 -1 yl]-2-pyridinylacrylic. Here is a general approach:Here is a general method:
Step 1: Preparation of the pyridine intermediateStep 1 : Preparation the pyridine intermediate
1. Start with a suitable pyridine derivative.Start with a suitable derivative of pyridine. For example, a 2 - bromo - 6 - formylpyridine could be a starting point.As an example, a 2-bromo-6-formylpyridine would be a good starting point. This compound can be obtained through standard synthetic routes in pyridine chemistry, perhaps from pyridine by bromination followed by formylation reactions.This compound can be synthesized using standard pyridine chemistry routes, such as bromination and formylation.
2. React the 2 - bromo - 6 - formylpyridine with a phosphonium ylide derived from an appropriate alkyl halide.React the 2-bromo-6-formylpyridine by reacting it with a phosphonium-ylide, derived from a suitable alkyl-halide. For instance, if we want to introduce the [(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen - 1 - yl] group, we first need to prepare the ylide.If we want to introduce [(1E )-1-(4-Methylphenyl )-3-(1-pyrrolidinyl )-1 – propen – 1 – yl], we must first prepare the ylide.
- To prepare the ylide, an alkyl halide containing the 4 - methylphenyl and 1 - pyrrolidinyl groups can be reacted with triphenylphosphine to form a phosphonium salt.To prepare the ylide an alkyl chloride containing 4 -methylphenyl and 1-pyrrolidinyl can be reacted to triphenylphosphine in order to form a salt of phosphonium. This salt is then treated with a strong base, such as butyllithium, to generate the phosphonium ylide.This salt is treated with a strong acid, such as butyllithium to produce the phosphoniumylide.
- The reaction between the 2 - bromo - 6 - formylpyridine and the phosphonium ylide proceeds via a Wittig reaction.This reaction forms a double bond, resulting in the introduction of the [(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl-1) - propen - 1 - yl] group at the 6 - position of the pyridine ring. This reaction forms a double bond, resulting in the introduction of the [(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen - 1 - yl] group at the 6 - position of the pyridine ring.This reaction forms a two-bond, resulting in an introduction of the [(1E), 1-(4-Methylphenyl), 3-(1-pyrrolidinyl),-1-propen-1-yl] group to the 6 – position of the pyridine.
Step 2: Introduction of the acrylic acid moietyStep 2 - Introduction of the acrylic acid moiety
1. Once the 6 - substituted pyridine intermediate is obtained, we can introduce the acrylic acid group.Once the 6-substituted pyridine is obtained, the acrylic acid group can be introduced. One common method is to use a Horner - Wadsworth - Emmons reaction.A Horner-Wadsworth-Emmons reaction is a common method.
- React the 6 - substituted pyridine aldehyde (formed in the previous step) with a phosphonate ester of acrylic acid.React the 6-substituted pyridine (formed in the preceding step) with the phosphonate esters of acrylic acid. The phosphonate ester can be prepared by reacting an appropriate alcohol (e.g., triethyl phosphite) with an acrylic acid derivative (such as acryloyl chloride).The phosphonate esters can be prepared by reacting a suitable alcohol (e.g. triethylphosphite), with an acrylic acid derivate (such as acryloylchloride).
- In the presence of a base, like sodium hydride or potassium carbonate, the phosphonate ester reacts with the aldehyde group of the pyridine intermediate.The phosphonate esters react with the aldehyde groups of the intermediate pyridine in the presence of a basic, such as sodium hydride or potassium carbonate. The reaction proceeds through a series of steps, ultimately forming the (2E)-3-6-[(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen - 1 - yl]-2 - pyridinylacrylic acid.The reaction proceeds in a series steps to form the (2E),-3-6[(1E),-1-(4-Methylphenyl),-3-(1-pyrrolidinyl),-1 – propen – 1 – yl]-2-pyridinylacrylic Acid. The reaction conditions need to be carefully controlled to ensure high yield and selectivity for the E - isomer of the double bond in the acrylic acid moiety.To ensure high yields and selectivity of the E-isomer double bond in the moiety of acrylic acid, the reaction conditions must be carefully controlled.
2. After the reaction, the product can be isolated and purified.Purification and isolation of the product is possible after the reaction. This may involve techniques such as column chromatography, recrystallization, or extraction to obtain the pure (2E)-3-6-[(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen - 1 - yl]-2 - pyridinylacrylic acid.This can be done using techniques such as recrystallization or extraction.
What are the safety precautions when handling (2E)-3-{6-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl}acrylic acid?
When handling (2E)-3-6-[(1E)-1-(4 - Methylphenyl)-3-(1 - pyrrolidinyl)-1 - propen - 1 - yl]-2 - pyridinylacrylic acid, the following safety precautions should be taken.Safety precautions must be observed when handling (2E-6-[(1E-1)-1-(4-Methylphenyl),-3-(1-pyrrolidinyl),-1-propen-1-yl]-2-pyrdinylacrylic acids.
First, in terms of personal protective equipment.Personal protective equipment is the first thing to consider. Wear appropriate laboratory coats or protective clothing to prevent direct contact of the chemical with the skin.Wear protective clothing or laboratory coats to prevent direct skin contact with the chemical. This helps to avoid potential skin irritations, allergic reactions, or absorption of the substance through the skin.This will help to prevent skin irritations, allergic reaction, or absorption through the skin. Additionally, use chemical - resistant gloves.Use chemical-resistant gloves. Nitrile or neoprene gloves are often good choices as they can provide a certain degree of protection against many organic chemicals.These gloves can offer a degree of protection from many organic chemicals. Ensure that the gloves fit well and are regularly inspected for any signs of damage.Make sure the gloves are well-fitting and regularly checked for signs of damage.
For eye protection, safety goggles or face shields are essential.Safety goggles or faceshields are essential for eye protection. This compound might splatter during handling, and getting it into the eyes could cause severe eye damage, including irritation, redness, and potential long - term vision problems.This compound may splatter when handled, and if it gets into the eye, it can cause severe damage including irritation, redness and long-term vision problems. Goggles should be snug - fitting and provide full - coverage around the eyes.Goggles must be tightly fitted and cover the eyes completely.
Ventilation is crucial.Ventilation is essential. Handle the chemical in a well - ventilated area, preferably under a fume hood.Handle the chemical in an area that is well-ventilated, preferably under a fumehood. This substance may emit vapors that could be harmful if inhaled.This substance can emit vapors which could be harmful to inhale. A fume hood effectively captures and exhausts these vapors, reducing the risk of respiratory problems.A fume hood captures and exhausts the vapors effectively, reducing respiratory problems. If a fume hood is not available, ensure that the general laboratory ventilation system is working properly to dilute any released vapors.If a fume-hood is not available, make sure that the laboratory ventilation system is functioning properly to dilute released vapors.
When it comes to storage, keep the compound in a cool, dry place, away from sources of heat, flames, or ignition.Store the compound in a dry, cool place away from heat, flames or ignition. Some organic compounds, depending on their chemical structure, can be flammable or reactive under certain conditions.Depending on their chemical structure some organic compounds can be flammable under certain conditions. Store it in a designated chemical storage area, separated from incompatible substances.Store it in an area designated for chemical storage, away from incompatible substances. For example, avoid storing it near strong oxidizing agents or acids, as chemical reactions could occur.Avoid storing it near strong acids or oxidizing agents, for example, as chemical reactions may occur.
In case of accidental exposure, have an emergency response plan in place.Prepare an emergency response plan for accidental exposure. If the chemical comes into contact with the skin, immediately rinse the affected area with plenty of water for at least 15 minutes.If the chemical comes in contact with your skin, rinse it immediately with plenty of water and for at least 15 min. Remove any contaminated clothing during the rinsing process.Remove any contaminated clothing while rinsing. If it gets into the eyes, flush the eyes with copious amounts of water for a long time and seek immediate medical attention.If it gets in the eyes, rinse the eyes for a long period of time with large amounts of water and seek immediate medical care. In case of inhalation, move the affected person to fresh air immediately.In the event of inhalation, immediately move the person to fresh air. If the person is experiencing difficulty breathing, provide artificial respiration if trained to do so and call for medical help promptly.If the person has difficulty breathing, if you are trained to do so, provide artificial ventilation and call for immediate medical assistance. If ingestion occurs, do not induce vomiting unless specifically instructed by a medical professional.In the event of ingestion, do not induce vomiting without specific instructions from a medical professional. Instead, seek immediate medical advice.Seek immediate medical advice.