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Trans-3-(3-methoxyphenyl)acrylic Acid


Properties
Product Name trans-3-(3-methoxyphenyl)acrylic acid
Cas Number 6373-78-0
Formula C10H10O3
Molar Mass 178.19
Melting Point 216-217°C
Boiling Point Not available
Density Not available
Solubility In Water Slightly soluble
Solubility In Solvents Soluble in organic solvents
Appearance White to off-white powder
Flash Point Not available
Refractive Index Not available
Stability Stable under recommended storage conditions
Storage Conditions Store in a cool, dry place
FAQ

What is the chemical structure of trans-3-(3-methoxyphenyl)acrylic acid?

Trans - 3 - (3 - methoxyphenyl)acrylic acid is an organic compound with the following characteristics regarding its chemical structure.
First, consider the overall framework.Consider the overall framework. The "acrylic acid" part forms the base structure.The "acrylic acids" part is the base structure. Acrylic acid has a two - carbon double - bond - containing carboxylic acid functional group.Acrylic acid contains a carboxylic acid functional two-carbon double-bond. The general formula for acrylic acid is CH2=CH - COOH.The general formula of acrylic acid is CH2=CH-COOH.

Now, look at the substitution on this base structure.Look at the substitution in this base structure. The "3 - (3 - methoxyphenyl)" indicates a substitution at the 3 - position of the acrylic acid chain.The "3 – (3 – methoxyphenyl)," indicates a replacement at the 3 – position of the acrylic acids chain. A phenyl group is attached here.Here, a phenyl group has been attached. A phenyl group is a six - membered aromatic ring with the formula C6H5.A phenyl ring is a six-membered aromatic ring that has the formula C6H5. In this case, the phenyl group has a methoxy substitution at the 3 - position of the phenyl ring.In this case, a methoxy group is substituted at the 3 – position of the phenyl rings. A methoxy group is - OCH3.A methoxy group can be represented by - OCH3.

So, starting from the carboxylic acid end of the acrylic acid chain, we have a carbon atom double - bonded to an oxygen atom and single - bonded to a hydroxyl group (COOH).Starting at the carboxylic end of the chain, we see a carbon atom that is double-bonded to an oxygen and single-bonded to a group called hydroxyl (COOH). Moving along the chain, the second carbon is part of the double bond (C = C).As we move along the chain, it is the second carbon that is part of the double-bond (C = C). The third carbon has a bond to the phenyl ring.The third carbon is bonded to the phenyl group.

On the phenyl ring, the carbon atom directly attached to the acrylic acid chain is considered as the 1 - position.The carbon atom that is directly attached to the chain of acrylic acid is considered the 1 -position on the phenyl rings. Counting around the ring, at the 3 - position relative to this attachment point, there is a methoxy group.At the 3 -position relative to the attachment point of the ring (counting around), there is a methoxygroup. The methoxy group consists of an oxygen atom bonded to a methyl group (- O - CH3).The methoxy group is made up of an oxygen atom bound to a methyl (-O - CH3) group.

In summary, the chemical structure of trans - 3 - (3 - methoxyphenyl)acrylic acid combines an acrylic acid backbone with a 3 - methoxyphenyl substitution at the 3 - position of the acrylic acid chain. The trans configuration implies that the substituents on the double bond of the acrylic acid part are on opposite sides of the double bond.The trans configuration means that the substituents of the double bonds of the acrylic part are on the opposite side of the double bonds. This structural arrangement gives the compound its unique chemical and physical properties, which can be important in various applications such as in organic synthesis, potentially as a building block for more complex molecules, or in certain biological studies where its specific structure might interact with biological molecules in a characteristic way due to the presence of the aromatic ring, double bond, and carboxylic acid functional group.This structural arrangement gives this compound its unique chemical properties. It can be used in many applications, such as organic synthesis or as a building-block for more complex molecules.

What are the applications of trans-3-(3-methoxyphenyl)acrylic acid?

Trans - 3 - (3 - methoxyphenyl)acrylic acid has several applications in different fields.
In the pharmaceutical industry, it can serve as an important intermediate for the synthesis of various drugs.It can be used as an intermediate in the pharmaceutical industry to synthesize various drugs. Its unique chemical structure allows for the introduction of specific functional groups during the drug - making process.Its unique chemical composition allows the introduction of specific functional group during the drug-making process. For example, it can be used to construct molecules with potential anti - inflammatory or antioxidant properties.It can be used, for example, to create molecules with anti-inflammatory or antioxidant properties. By reacting with other chemical entities, drugs can be developed to target specific biological pathways related to inflammation or oxidative stress in the body.Drugs can be developed by combining other chemical entities to target specific biological pathways that are related to inflammation or oxidative stresses in the body.

In the area of materials science, this compound can contribute to the creation of specialty polymers.This compound can be used to create specialty polymers in the field of materials science. When incorporated into polymer synthesis, it can modify the physical and chemical properties of the resulting polymers.It can be used to modify the physical and chemistry properties of polymers. For instance, it might enhance the polymer's solubility, or improve its mechanical strength.It could, for example, improve the solubility of the polymer or its mechanical strength. This is because the methoxyphenyl and acrylic acid moieties can interact with other monomers in the polymerization reaction, leading to a more tailored polymer structure.The methoxyphenyl or acrylic acid moieties interact with other monomers during the polymerization process, resulting in a more tailored structure. These modified polymers could then be used in applications such as coatings, where the unique properties can provide better adhesion, durability, or chemical resistance.These modified polymers can be used for coatings where their unique properties provide better adhesion or durability.

In the field of organic synthesis, trans - 3 - (3 - methoxyphenyl)acrylic acid is a valuable building block. Chemists can use it in a variety of reactions, like Diels - Alder reactions.It can be used in a wide range of reactions, such as Diels-Alder reactions. In a Diels - Alder reaction, the acrylic acid part can act as a dienophile, reacting with a diene to form a cyclic compound.In a Diels-Alder reaction, acrylic acid can act as a dienophile, reacting to a diene and forming a cyclic substance. This allows for the construction of complex organic molecules with a high degree of regioselectivity and stereoselectivity.This allows the construction of complex molecules with a high level of stereoselectivity and regioselectivity. These complex molecules can further be used in the development of new agrochemicals, for example, pesticides or herbicides.These complex molecules can be used to develop new agrochemicals such as pesticides and herbicides. By carefully designing the reaction pathways starting from this acid, chemicals can be created that are more effective in controlling pests or weeds while being more environmentally friendly.By carefully designing the reactions starting from this acid it is possible to create chemicals that are more environmentally friendly and more effective at controlling pests or weeds.

In addition, in the research of natural product - inspired synthesis, trans - 3 - (3 - methoxyphenyl)acrylic acid can mimic the structures found in some natural products. Many natural products have shown remarkable biological activities.Many natural products exhibit remarkable biological activity. By using this compound as a starting point, chemists can attempt to synthesize compounds that resemble natural products in structure and potentially in function, leading to the discovery of new bioactive substances.By using this compound, chemists may attempt to synthesize substances that are similar to natural products, both in structure and function. This could lead to the discovery of bioactive substances.

What are the physical and chemical properties of trans-3-(3-methoxyphenyl)acrylic acid?

Physical properties of trans - 3 - (3 - methoxyphenyl)acrylic acid:
Appearance: It is likely to be a solid at room temperature.Appearance: This is likely to be solid at room temperatures. Many aromatic carboxylic acids with similar structures are solids due to the relatively strong intermolecular forces, such as hydrogen bonding and van der Waals forces.Many aromatic carboxylic acid with similar structures are solids because of the relatively strong intermolecular force, such as hydrogen bonds and van der Waals. The presence of the phenyl ring and the carboxylic acid group contributes to these forces.These forces are influenced by the presence of the carboxylic group and the phenyl group.

Melting point: Precise determination of the melting point requires experimental measurement.Melting point: Experimentation is required to determine the melting point precisely. However, based on the structure, it can be predicted that the melting point would be influenced by the intermolecular interactions.The structure can predict that the melting point will be affected by intermolecular interaction. The methoxy group on the phenyl ring can affect the packing of molecules in the solid state.The methoxy group of the phenyl can influence the packing of molecules during the solid state. The carboxylic acid group can form hydrogen bonds with neighboring molecules, which generally increases the melting point.The carboxylic group can form hydrogen bond with neighboring molecules which increases the melting temperature. Compared to simple aliphatic acids, the presence of the aromatic ring usually leads to a higher melting point.The presence of an aromatic ring leads to a higher melt point than simple aliphatic acid.

Solubility: In terms of solubility in water, trans - 3 - (3 - methoxyphenyl)acrylic acid is likely to be sparingly soluble. The hydrophobic nature of the phenyl ring and the methoxy group reduces its affinity for water.The hydrophobic natures of the phenyl group and the methoxy groups reduces its affinity to water. The carboxylic acid group can form hydrogen bonds with water molecules to some extent, but the overall hydrophobicity of the molecule dominates.The carboxylic group can form hydrogen bond with water molecules in some degree, but the overall hydrophobicity dominates. It is more likely to be soluble in organic solvents such as ethanol, methanol, and dichloromethane.It is more likely soluble in organic solvants such as ethanol methanol and dichloromethane. These organic solvents can interact with the molecule through van der Waals forces and can also solvate the polar carboxylic acid group.These organic solvents interact with the molecule via van der Waals forces, and can also dissolve the polar carboxylic group.

Chemical properties of trans - 3 - (3 - methoxyphenyl)acrylic acid:

Acidity: The carboxylic acid group in trans - 3 - (3 - methoxyphenyl)acrylic acid is acidic. It can donate a proton in the presence of a base.It can donate a proton in the presence a base. The pKa value of the carboxylic acid group can be affected by the methoxy group on the phenyl ring.The methoxy group of the phenyl group can affect the pKa value for the carboxylic group. The methoxy group is an electron - donating group via resonance.The methoxy group acts as an electron-donating group through resonance. This electron - donating effect can slightly decrease the acidity of the carboxylic acid group compared to benzoic acid.This electron-donating effect can reduce the acidity of carboxylic acid groups compared to benzoic acids. However, it still remains acidic enough to react with common bases such as sodium hydroxide, potassium hydroxide, and sodium carbonate to form the corresponding carboxylate salts.It is still acidic enough, however, to react with common bases like sodium hydroxide and potassium hydroxide to form carboxylate salts.

Reactivity of the double bond: The trans double bond in the molecule is reactive.The trans double bonds in the molecule are reactive. It can undergo addition reactions.It can undergo addition reaction. For example, it can react with hydrogen in the presence of a catalyst (such as palladium on carbon) to form the saturated product.It can, for example, react with hydrogen when a catalyst is present (such as palladium and carbon) to produce the saturated product. It can also react with electrophiles in electrophilic addition reactions.It can also be used in electrophilic reactions. For instance, reaction with bromine would result in the addition of bromine atoms across the double bond, forming a dibromo - substituted product.In the case of bromine, the reaction would result in an addition of bromine across the double bond. This is a dibromo-substituted product.

Reactions of the aromatic ring: The phenyl ring can undergo electrophilic aromatic substitution reactions.Electrophilic aromatic substitution reactions can occur on the phenyl ring. The methoxy group is an ortho - para directing group.The methoxy group has an ortho-para directing group. This means that when reacting with electrophiles such as nitronium ions (in nitration reactions), acyl cations (in Friedel - Crafts acylation), the electrophile will preferentially attack the ortho and para positions relative to the methoxy group on the phenyl ring.The methoxy group is an ortho-para directing group.

How is trans-3-(3-methoxyphenyl)acrylic acid synthesized?

Trans - 3 - (3 - methoxyphenyl)acrylic acid can be synthesized through the following general steps.
1. Starting materials preparationStart materials preparation
The synthesis often starts with 3 - methoxybenzaldehyde.Synthesis often begins with 3 -methoxybenzaldehyde. This aldehyde is a key starting compound that contains the 3 - methoxyphenyl group.This aldehyde, which contains the 3-methoxyphenyl group, is a crucial starting compound. Another important reagent is an appropriate carbon - nucleophile source.A carbon-nucleophile is another important reagent. A common choice is malonic acid.Malonic acid is a popular choice. Malonic acid has two carboxylic acid groups and is used to introduce the acrylic acid part of the final product.Malonic acid is a carboxylic acid with two groups. It is used to introduce acrylic acid into the final product.

2. Condensation reaction
The reaction between 3 - methoxybenzaldehyde and malonic acid is typically carried out in the presence of a base.In most cases, the reaction between 3 -methoxybenzaldehyde & malonic acid takes place in the presence a base. Pyridine is a frequently used base in this type of reaction.In this type of reaction, pyridine is often used as a base. The base first deprotonates the malonic acid, generating a nucleophilic enolate ion.The base deprotonates malonic acid first, generating a enolate nucleophilic. This enolate ion then attacks the carbonyl carbon of 3 - methoxybenzaldehyde.This enolate attack then attacks the carbonyl of 3 -methoxybenzaldehyde. A series of reaction steps follow, including an elimination reaction.Then, a series of reactions follow, including an elution reaction. During the elimination step, a molecule of carbon dioxide is lost from the intermediate formed from the initial nucleophilic addition.During the first step of the elimination, a carbon dioxide molecule is lost from the intermediate that was formed by the initial nucleophilic addtion. This results in the formation of the double bond characteristic of the acrylic acid moiety, leading to the production of trans - 3 - (3 - methoxyphenyl)acrylic acid. The trans - configuration is favored due to the thermodynamic stability of the trans - double bond compared to the cis - form.The trans – configuration is preferred due to the thermodynamic stability provided by the trans – double bond in comparison to the cis-form.

3. Purification
After the reaction is complete, the reaction mixture usually contains the desired product along with unreacted starting materials, by - products, and the base.The reaction mixture contains the desired product, as well as unreacted materials, by-products, and the base. Purification is necessary to isolate the pure trans - 3 - (3 - methoxyphenyl)acrylic acid. One common purification method is recrystallization.Recrystallization is a common method of purification. The crude product is dissolved in a suitable solvent system, such as a mixture of ethanol and water.The crude product is dissolved into a suitable solvent, such as water and ethanol. The solution is then slowly cooled, allowing the pure product to crystallize out while impurities remain in the solution.The solution is cooled slowly to allow the pure product crystallize while the impurities remain. Filtration can then be used to collect the crystals, which are further dried to obtain the final pure trans - 3 - (3 - methoxyphenyl)acrylic acid. Another purification option could be column chromatography, where the crude product is loaded onto a column packed with an appropriate stationary phase (such as silica gel), and eluted with a suitable mobile phase to separate the product from other components in the reaction mixture.Column chromatography is another option for purification. The crude product can be loaded onto a column filled with a stationary phase (such a silica gel) and eluted using a mobile phase to separate it from other components of the reaction mixture.

What are the safety hazards and handling precautions of trans-3-(3-methoxyphenyl)acrylic acid?

Trans - 3 - (3 - methoxyphenyl)acrylic acid may pose several safety hazards.
One of the potential safety hazards is its irritant nature.Its irritant properties are one of its potential safety hazards. It can cause irritation to the skin.It can cause skin irritation. Direct contact may lead to redness, itching, and a burning sensation.Direct contact can cause redness, itchiness, and a burning feeling. When it comes into contact with the eyes, it can be extremely harmful, potentially causing severe eye irritation, damage to the cornea, and even vision impairment.It can cause severe eye irritation and damage to the cornea. It can even impair vision when it comes in contact with the eyes. Inhalation of dust or vapors containing this compound can irritate the respiratory tract, resulting in coughing, shortness of breath, and possible inflammation of the lungs over time.Inhaling dust or vapors that contain this compound can cause irritation of the respiratory tract. This can lead to coughing, shortness in breath, and even inflammation of the lungs.

Regarding handling precautions, when working with trans - 3 - (3 - methoxyphenyl)acrylic acid, appropriate personal protective equipment (PPE) should be worn. This includes chemical - resistant gloves made of materials like nitrile, which can prevent skin contact.Chemical-resistant gloves made from materials such as nitrile can be used to prevent skin contact. Safety goggles or a face shield should be used to protect the eyes from any splashes or airborne particles.To protect your eyes from airborne particles or splashes, safety goggles and face shields are recommended.

In the workplace, ensure good ventilation.Assure good ventilation in the workplace. If possible, handle the compound in a fume hood to minimize the risk of inhaling any dust or vapors.Handle the compound under a fume-hood to reduce the risk of inhaling dust or vapors. When transferring the substance, use proper containers and avoid creating dust clouds.Use the right containers when transferring the substance and avoid creating dust clouds. If there is a spill, it should be cleaned up promptly.It is important to clean up any spills as soon as possible. First, isolate the area to prevent others from coming into contact.To prevent others from getting in contact, first isolate the area. Then, use absorbent materials to soak up the spill.Use absorbent materials to absorb the spill. The contaminated absorbent should be placed in a suitable waste container for proper disposal according to local regulations.The contaminated absorbent material should be placed into a suitable container for proper disposal in accordance with local regulations.

When storing trans - 3 - (3 - methoxyphenyl)acrylic acid, keep it in a cool, dry place away from sources of heat and ignition. Store it in a tightly - sealed container to prevent leakage and exposure to air, which could potentially cause degradation or the release of harmful vapors.Store it in an airtight container to avoid leakage or exposure to the air which could cause degradation or release of harmful vapors. Additionally, label the storage container clearly with the name of the compound, its hazards, and any necessary handling instructions.Label the container with the name of compound, any hazards and any instructions for handling. This way, all those who may come into contact with it are aware of the potential risks and how to handle it safely.This will ensure that all those who come into contact with the compound are aware of its potential hazards and how to safely handle it.