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3b-indole Acrylic Acid


Properties
Product Name 3B-Indole Acrylic Acid
Cas Number 771-50-6
Formula C11H9NO2
Molar Mass 187.2
Property 1 Melting Point: 220-224°C
Property 2 Boiling Point: 409.93°C at 760 mmHg
Property 3 Density: 1.29 g/cm³
Property 4 Solubility: Insoluble in water
Property 5 Appearance: Light yellow to beige powder
Property 6 Flash Point: 201.977°C
Property 7 Vapor Pressure: 6.87E-08 mmHg at 25°C
Property 8 pKa: 4.71
Property 9 LogP: 1.53
Property 10 Target Use: Used in organic synthesis and as a biochemical research reagent
FAQ

What is the chemical structure of 3B-indole acrylic acid?

3 - B - indole acrylic acid likely refers to 3 - (3 - indolyl)acrylic acid.3 b - indole acrylic acid is likely to refer to 3 (3 - indolyl )acrylic acid. Its chemical structure is based on two main components: the indole ring system and an acrylic acid moiety.Its chemical structure is composed of two main components: an indole ring and an acrylic acid moiety.
The indole ring is a bicyclic heterocyclic compound.The indole is a heterocyclic bicyclic compound. It consists of a six - membered benzene ring fused to a five - membered pyrrole ring.It is composed of a six-membered benzene chain fused with a five-membered pyrrole chain. The benzene ring has alternating double bonds, which contribute to its aromatic character.The aromatic character of the benzene ring is due to its alternating double bonds. The pyrrole ring within indole contains a nitrogen atom.Indole's pyrrole contains a nitrogen-containing atom. The indole ring has a specific numbering system for its carbon atoms.Indole rings have a unique numbering system. The nitrogen atom in the pyrrole ring is numbered as 1, and moving around the pyrrole ring first and then to the benzene ring, the atoms are sequentially numbered.The nitrogen atom of the pyrrole is numbered 1, and the atoms are numbered sequentially as you move around the pyrrole and then the benzene rings.

The acrylic acid part has a simple structure.The acrylic acid has a very simple structure. It is a carboxylic acid with a vinyl group attached to the carbonyl - carbon.It is a carboxylic with a vinyl group attached. The chemical formula of acrylic acid is CH2=CH - COOH.The chemical formula for acrylic acid is CH2=CH-COOH.

In 3 - (3 - indolyl)acrylic acid, the connection occurs at the 3 - position of the indole ring.In 3 – (3 – indolyl-)acrylic acid the connection occurs in the 3 – position of the indole-ring. The carbon atom at the 3 - position of the indole ring forms a carbon - carbon double bond with one of the carbon atoms of the vinyl group in acrylic acid.The carbon atom in the 3 - position forms a double bond carbon - carbon with one of carbon atoms in the vinyl group of acrylic acid. So, the overall structure can be written as: an indole ring where at the 3 - position, a - CH = CH - COOH group is attached.The overall structure can then be written as an indole group with a -CH = CH – COOH group at the 3 -position.

The chemical formula of 3 - (3 - indolyl)acrylic acid is C11H9NO2.The chemical formula for 3 - (3-indolyl-acrylic acid) is C11H9NO2. The double bonds in the indole ring and the acrylic acid part contribute to its potential for undergoing various chemical reactions such as addition reactions.Double bonds in the acrylic acid and indole rings contribute to the potential of the chemical reaction. The carboxylic acid group can participate in reactions characteristic of acids, like esterification reactions with alcohols in the presence of a catalyst.The carboxylic group can participate in acidic reactions, such as esterification reactions in the presence a catalyst. The indole part can also be involved in reactions specific to aromatic heterocycles, for example, electrophilic aromatic substitution reactions due to the electron - rich nature of the indole ring.The indole can also be used in aromatic heterocycle reactions, such as electrophilic aromatic substitute reactions, due to the electron-rich nature of the indole. Understanding the chemical structure of 3 - (3 - indolyl)acrylic acid is crucial for predicting its reactivity, physical properties, and potential applications in areas such as organic synthesis, pharmaceuticals, and materials science.Understanding the chemical structure is important for predicting 3 - (3- indolyl-acrylic acid's reactivity, its physical properties, and its potential applications in areas like organic synthesis, pharmaceuticals and materials science.

What are the applications of 3B-indole acrylic acid?

3 - indole acrylic acid has several important applications:Indoleacrylic acid is used in many important applications.
In the field of plant growth regulation, it plays a significant role.It plays a major role in the regulation of plant growth. It can act as a plant growth - promoting substance.It can be used as a substance that promotes plant growth. It helps in stimulating root growth.It stimulates root growth. For example, when applied to seeds or young seedlings, it encourages the development of a more robust root system.When applied to young seedlings or seeds, it can encourage the development of a robust root system. A well - developed root system is crucial for plants as it enables better absorption of water and nutrients from the soil.A well-developed root system is essential for plants, as it allows them to better absorb water and nutrients. This in turn enhances the overall growth and vigor of the plant.This enhances the overall health and growth of the plant. It can also influence shoot growth, leading to taller and stronger stems, which is beneficial for agricultural crops, horticultural plants, and forestry seedlings.It can also influence the growth of shoots, resulting in taller and stronger stems. This is beneficial for agricultural plants, horticultural crops, and forestry seeds. Additionally, 3 - indole acrylic acid can improve the plant's resistance to environmental stresses such as drought and salinity.3 - Indole Acrylic Acid can also improve the plant's ability to resist environmental stresses, such as salinity and drought. By promoting proper growth and development, the plant is better equipped to withstand these adverse conditions.By promoting the proper growth and development of the plant, it is better equipped to resist these adverse conditions.

In the pharmaceutical industry, 3 - indole acrylic acid has potential applications.In the pharmaceutical industry 3 - indoleacrylic acid has potential uses. It has been studied for its possible anti - inflammatory properties.It was studied for its anti-inflammatory properties. Inflammation is associated with many diseases, including arthritis and some skin disorders.Inflammation can be associated with many diseases including arthritis and certain skin disorders. Compounds with anti - inflammatory effects can help in reducing swelling, pain, and redness.Compounds that have anti-inflammatory effects can reduce swelling, pain and redness. Research is ongoing to explore how 3 - indole acrylic acid can be developed into drugs or drug components to treat these inflammatory conditions.Researchers are currently exploring how 3 -indole acryl acid can be developed as a drug or drug component to treat these inflammatory disorders. It may also have antioxidant properties.It may also possess antioxidant properties. Antioxidants are important in preventing cell damage caused by free radicals, which are implicated in aging and various chronic diseases such as cancer and heart diseases.Antioxidants prevent cell damage caused by the free radicals that are linked to aging, cancer and heart disease. If further research validates its antioxidant capabilities, it could be used in the formulation of dietary supplements or drugs to combat these health issues.If further research confirms its antioxidant properties, it could be included in the formulation of dietary supplement or drugs to combat health issues.

In the field of organic synthesis, 3 - indole acrylic acid serves as a valuable intermediate.In organic synthesis, 3-indoleacrylic acid is a valuable intermediary. It can be used in the synthesis of other complex organic compounds.It can be used to synthesize other complex organic compounds. Chemists can modify its structure through various chemical reactions to create molecules with specific properties.Chemists are able to modify its structure by using different chemical reactions in order to create molecules that have specific properties. These synthesized compounds may find applications in different areas such as in the production of dyes, where they can contribute to the development of new colorants with improved colorfastness and other desirable properties.These synthesized compounds can be used in many different fields, such as the production of dyes. They can help develop new colorants that have improved colorfastness. They can also be used in the synthesis of polymers, adding unique functional groups to the polymer chain, which can enhance the physical and chemical properties of the polymers, such as their solubility, mechanical strength, or thermal stability.They can be used to synthesize polymers by adding unique functional groups that can enhance their physical and chemical properties, such as solubility, mechanical resistance, or thermal stability.

What are the properties of 3B-indole acrylic acid?

3 - B - indole acrylic acid, also known as 3 - (3 - indolyl)acrylic acid, has several notable properties.The 3 - (3-indolyl-)acrylic acid also known as 3 B - Indole Acrylic Acid has a number of notable properties.
Physical properties
In terms of appearance, it is often a solid substance.It is usually a solid substance. It usually exists in a crystalline form.It is usually crystalline. The melting point of 3 - B - indole acrylic acid is an important physical characteristic.The melting point of 3-B-indoleacrylic acid is a very important physical characteristic. Typically, it has a relatively high melting point, which is related to the strength of the intermolecular forces within its crystal lattice.It has a high melting point that is usually related to the strength intermolecular forces in its crystal lattice. These intermolecular forces, including van der Waals forces and potentially hydrogen bonding due to the presence of polar groups such as the carboxylic acid group and the indole moiety, hold the molecules together in the solid state.These intermolecular interactions, including van der waals forces and possibly hydrogen bonding because of the presence polar groups, such as the carboxylic acids group and the indole moiety hold the molecules together at the solid state.

It has a certain solubility behavior.It has a specific solubility behaviour. It shows limited solubility in water.It is only slightly soluble in water. The hydrophobic nature of the indole ring contributes to this.This is due to the hydrophobic nature indole rings. However, it can dissolve to some extent in organic solvents.It can dissolve in organic solvents to a certain extent. For example, it may have better solubility in polar organic solvents like ethanol, methanol, and dimethyl sulfoxide (DMSO).It may be more soluble in polar organics such as ethanol, methanol and dimethyl sulfoxide. This solubility property is useful in various applications, such as in the preparation of solutions for chemical reactions or in the extraction process.This property of solubility is useful for a variety of applications, including the preparation and extraction processes.

Chemical properties
The carboxylic acid group in 3 - B - indole acrylic acid is highly reactive.The carboxylic group in 3 B indole Acrylic Acid is highly reactive. It can participate in acid - base reactions.It can be involved in acid-base reactions. For instance, it can react with bases to form salts.It can, for example, react with bases to produce salts. This property is exploited in pharmaceutical and chemical industries for the formulation of more soluble and stable derivatives.This property is used in the pharmaceutical and chemical industries to formulate more stable and soluble derivatives. The double bond in the acrylic acid part of the molecule is also reactive.The double bond of the acrylic acid molecule is also reactive. It can undergo addition reactions.It can undergo addition reaction. For example, it can react with hydrogen in the presence of a suitable catalyst (such as a metal catalyst like palladium) to form the saturated derivative, which can potentially change its physical and biological properties.It can, for example, react with hydrogen when a suitable catalyst is present (such as a palladium metal catalyst) to form a saturated derivative. This can change its physical and biochemical properties.

The indole ring system has its own unique reactivity.The indole system has a unique reactivity. It can participate in electrophilic aromatic substitution reactions.It can participate in aromatic electrophilic substitution reactions. Due to the electron - rich nature of the indole ring, it is prone to react with electrophiles at specific positions on the ring.It is susceptible to reacting with electrophiles in specific positions of the ring due to its electron-rich nature. This reactivity can be used to introduce various functional groups onto the indole moiety, expanding the chemical diversity of 3 - B - indole acrylic acid derivatives.This reactivity allows the introduction of various functional groups to the indole moiety. This increases the chemical diversity in 3 - B-indole acrylic acids. These derivatives may have enhanced biological activities or different physical properties compared to the parent compound.These derivatives can have different physical properties or enhanced biological activity compared to their parent compound.

Biological properties
3 - B - indole acrylic acid has shown certain biological activities.Certain biological activities have been observed with 3 - B indole acrylic acid. It has been investigated for its potential antioxidant properties.It was investigated for its antioxidant properties. Antioxidants can scavenge free radicals in biological systems, protecting cells from oxidative damage.Antioxidants can protect cells from oxidative stress by scavenging free radicals. In addition, some studies suggest that it may have anti - inflammatory effects.Some studies also suggest that it could have anti-inflammatory effects. Inflammatory processes in the body can be regulated by the action of certain compounds, and 3 - B - indole acrylic acid may interact with the relevant biochemical pathways involved in inflammation.Certain compounds can regulate inflammation in the body. 3 - B- indole acryl acid may interact with biochemical pathways that are involved in inflammation. These biological properties make it a compound of interest in the fields of medicine and nutrition research.These biological properties make the compound of interest to researchers in the fields medicine and nutrition.

How is 3B-indole acrylic acid synthesized?

3 - B - indole acrylic acid, also known as trans - 3 - (3 - indolyl)acrylic acid, can be synthesized through the following common methods:The following common methods can be used to synthesize 3 - B – indole acryl acid, also known by the name trans - 3- (3 - Indolyl )acrylic acid:
Knoevenagel Condensation Method
1. Starting Materials Preparation
The synthesis often starts with indole - 3 - aldehyde and malonic acid as the key starting materials.Indole-3-aldehyde is often used as a starting material. Indole - 3 - aldehyde is commercially available or can be prepared through other synthetic routes.Indole - 3 aldehyde can be purchased commercially or prepared by other synthetic routes. Malonic acid is a relatively common and inexpensive chemical.Malonic acid is an inexpensive and common chemical.
2. Reaction Conditions
The reaction is carried out in the presence of a base catalyst.The reaction takes place in the presence a catalyst. Piperidine is a frequently used base in this reaction.Piperidine is often used as a base in this reaction. A solvent such as pyridine is often employed.Often, pyridine or another solvent is used. The reaction mixture is heated to a certain temperature, typically around 100 - 120degC.The reaction mixture is heated up to a specific temperature, usually between 100-120degC.
3. Reaction Mechanism
The base (piperidine) first deprotonates malonic acid, generating a carbanion.The base (piperidine), first deprotonates the malonic acid to produce a carbanion. This carbanion then attacks the carbonyl carbon of indole - 3 - aldehyde, forming an intermediate.This carbanion attacks the carbonyl of indole-3-aldehyde to form an intermediate. Subsequently, a series of proton - transfer and elimination reactions occur.A series of proton-transfer and elimination reactions follow. The elimination of a molecule of carbon dioxide from the intermediate leads to the formation of 3 - B - indole acrylic acid.The elimination of one molecule of carbon dioxide from the intermediate results in the formation of 3-B-indole acrylic acid. The overall reaction is a condensation reaction, where water is also eliminated during the formation of the double bond in the product.The overall reaction is condensation, where water is also removed during the formation of a double bond in product.
4. Purification
After the reaction is complete, the reaction mixture is cooled.The reaction mixture is cooled after it is completed. The product can be isolated by methods such as acid - base extraction.Acid-base extraction is one method to isolate the product. The reaction mixture is acidified, and the 3 - B - indole acrylic acid precipitates out.The reaction mixture is then acidified and the 3 – B – indole acrylic acid precipitates. It can then be further purified by recrystallization using solvents like ethanol or a mixture of ethanol and water.The product can be further purified using solvents such as ethanol or a mix of ethanol with water. Recrystallization helps to remove impurities and obtain a pure product with a high degree of crystallinity.Recrystallization removes impurities to obtain a pure, crystallized product.

Perkin Reaction - like Approach
1. Starting Materials
Indole - 3 - aldehyde is again used as one of the starting components.Indole -3 - aldehyde can be used again as a starting component. Instead of malonic acid, acetic anhydride can be used along with a base such as sodium acetate.Acetic anhydride, instead of malonic acid can be used with a base like sodium acetate.
2. Reaction Process
The reaction takes place by heating the mixture of indole - 3 - aldehyde, acetic anhydride, and sodium acetate.The reaction is triggered by heating a mixture of indole-3-aldehyde acetic acid and sodium acetate. The sodium acetate acts as a base catalyst.The sodium acetate is a catalyst. During the reaction, acetic anhydride reacts with the indole - 3 - aldehyde.During the reaction, the acetic anhydride reacts the indole-3-aldehyde. First, an intermediate is formed through the attack of the enolate ion (generated from acetic anhydride by the action of sodium acetate) on the carbonyl group of indole - 3 - aldehyde.The enolate (produced from acetic acid by sodium acetate action) attacks the carbonyl group in the indole-3-aldehyde to form an intermediate. Then, through a series of intramolecular rearrangements and eliminations, 3 - B - indole acrylic acid is formed along with the generation of acetic acid as a by - product.Through a series intramolecular rearrangements, and eliminations, the 3 - B indole - acrylic acid is produced along with acetic as a by-product.
3. Isolation and PurificationIsolation & Purification
Similar to the Knoevenagel condensation method, after the reaction, the mixture is cooled.After the reaction, the mixture can be cooled, similar to the Knoevenagel method. The product can be separated by adjusting the pH of the reaction mixture.Separation of the product is possible by adjusting pH in the reaction mixture. Acidification can cause the precipitation of 3 - B - indole acrylic acid.Acidification can precipitate 3 - B- indole acrylic acid. Further purification can be achieved through recrystallization techniques to obtain a pure sample suitable for various applications, such as in pharmaceutical research or as a chemical intermediate for further organic synthesis.Recrystallization can be used to purify the sample further. This is useful for pharmaceutical research and as a chemical intermediary for further organic synthesis.

What are the potential risks associated with 3B-indole acrylic acid?

3 - indole acrylic acid is a naturally occurring compound with various biological activities.3 - Indoleacrylic acid is a naturally occurring chemical with diverse biological activities. However, like many substances, it may pose several potential risks.Like many substances, however, it can pose a number of potential risks.
One area of concern is its potential impact on the endocrine system.One area of concern is the potential impact on endocrine systems. Some studies suggest that certain indole - based compounds can interact with hormone - related receptors in the body.Certain studies suggest that indole-based compounds may interact with hormone-related receptors in the human body. Since the endocrine system is crucial for regulating a wide range of physiological functions such as growth, metabolism, and reproduction, disruption of this system by 3 - indole acrylic acid could lead to various health problems.The endocrine system regulates a variety of physiological functions, including growth, metabolism and reproduction. Disruption of this system by 3-indole-acrylic acid could cause various health problems. For example, interference with estrogen - like receptors might cause hormonal imbalances in both males and females, potentially affecting fertility, menstrual cycles, or the development of secondary sexual characteristics.Interference with estrogen-like receptors could cause hormonal imbalances both in males and females. This could affect fertility, menstrual cycle, or secondary sexual characteristics.

Another risk is related to its potential mutagenic or genotoxic effects.A second risk is its potential mutagenic and genotoxic effects. In laboratory studies, some indole derivatives have shown the ability to cause changes in DNA structure or function.In laboratory tests, some indole-derived compounds have been shown to alter DNA structure or function. If 3 - indole acrylic acid were to exhibit similar mutagenic properties, it could increase the risk of genetic mutations.If 3 -indoleacrylic acid exhibited similar mutagenic characteristics, it could increase genetic mutations. These mutations may be passed on to daughter cells during cell division and over time could contribute to the development of diseases such as cancer.These mutations could be passed to daughter cells through cell division, and over time they could contribute to diseases like cancer. Mutations in key genes that regulate cell growth, repair, or apoptosis (programmed cell death) can lead to uncontrolled cell proliferation, a hallmark of cancer.Mutations in genes that control cell growth, repair or apoptosis can lead to uncontrolled proliferation of cells, a hallmark for cancer.

When considering its environmental impact, 3 - indole acrylic acid may also pose risks.3 - Indole Acryl Acid may also pose risks when considering its environmental impact. If it is released into the environment, for instance, through industrial processes or improper waste disposal, it could affect non - target organisms.It could have a negative impact on non-target organisms if it is released in the environment through industrial processes or improper disposal of waste. Aquatic life could be particularly vulnerable.Aquatic life may be especially vulnerable. The compound may accumulate in water bodies and be taken up by fish, invertebrates, and other aquatic organisms.The compound can accumulate in water bodies, where it is absorbed by fish, invertebrates and other aquatic organisms. This could disrupt their normal physiological functions, such as respiration, feeding, and reproduction.This could disrupt their physiological functions such as respiration and feeding. In the soil ecosystem, it might influence the growth and activity of soil microorganisms, which play a vital role in nutrient cycling and plant health.In the soil ecosystem it could influence the growth and activities of soil microorganisms that play a crucial role in nutrient cycles and plant health. If these microorganisms are negatively affected, it could have cascading effects on the entire terrestrial ecosystem, including impacts on plant growth and productivity.If these microorganisms suffer a negative impact, it can have cascading impacts on the entire terrestrial eco-system, including impacts on plant productivity and growth.

In addition, allergic reactions are a possible risk.A possible risk is allergic reactions. Although there is limited data specifically on 3 - indole acrylic acid - induced allergies, as a foreign compound, it has the potential to trigger an immune response in some individuals.As a foreign substance, 3 - indoleacrylic acid can trigger an allergic reaction in some people, despite the limited data. Allergic reactions can range from mild skin rashes, itching, and sneezing to more severe symptoms such as difficulty breathing, swelling of the throat, and anaphylaxis, which can be life - threatening.Allergic reactions range from mild skin rashes and itching to more severe symptoms like difficulty breathing, swelling in the throat and anaphylaxis.