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Product Name | 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride |
Cas Number | 2394-98-1 |
Formula | C12H13ClO4 |
Molar Mass | 256.68 |
Property 1 | boiling_point_214-216°C |
Property 2 | density_1.21_g/cm³ |
Property 3 | appearance_yellow_oil |
Property 4 | refractive_index_nD_1.551 |
Property 5 | melting_point_N/A |
Property 6 | storage_temp_under_30°C |
Property 7 | solubility_soluble_in_organic_solvents |
Property 8 | vapor_pressure_lower_than_10_Pa |
Property 9 | pKa_lower_than_10 |
Property 10 | NFPA_health_risk_2 |
Other Attribute | N/A |
What are the main applications of 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride?
3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride is a chemical compound with various applications.
In the field of organic synthesis, it serves as a crucial building block.It is a key building block in the field of organic syntheses. It can participate in esterification reactions.It can be used in esterification reactions. By reacting with alcohols, it can form esters.It can form esters by reacting with alcohols. These esters may have different properties and can be used in the preparation of flavor and fragrance compounds.These esters can have different properties, and they can be used to prepare flavor and fragrance compounds. For example, in the creation of artificial scents for perfumes or flavor enhancers in the food industry, the esters derived from 3-(3,4,5 -Trimethoxyphenyl)acrylic acid chloride can contribute unique aromatic notes.
It is also useful in amide formation.It is also useful for amide formation. When reacted with amines, it forms amides.It forms amides when it reacts with amines. These amides can find applications in the pharmaceutical industry.These amides are useful in the pharmaceutical industry. Some amides synthesized from this acid chloride may exhibit biological activities.Some amides synthesized using this acid chloride could have biological activity. They could potentially be developed into drugs or drug intermediates.They could be developed into drugs, or drug intermediates. For instance, they might have antibacterial, anti - inflammatory, or other pharmacological properties.They may, for example, have antibacterial, anti-inflammatory, or other pharmacological characteristics. Medicinal chemists often use such compounds as starting materials to build more complex molecules with desired biological functions.These compounds are often used by medicinal chemists to build more complex molecules that have desired biological functions.
In the polymer industry, 3-(3,4,5 -Trimethoxyphenyl)acrylic acid chloride can be used to introduce specific functional groups into polymers. By copolymerizing it with other monomers, polymers with unique properties can be obtained.Polymers with unique properties are obtained by copolymerizing the monomer with other monomers. These polymers may have enhanced solubility, improved mechanical properties, or better adhesion characteristics.These polymers can have improved solubility, mechanical properties, or adhesion characteristics. For example, in the production of coatings, the incorporation of these functionalized polymers can lead to coatings that adhere better to substrates, resist wear and tear, and have improved chemical resistance.In the production of coatings for example, these functionalized polymers may lead to coatings with improved adhesion to substrates, resistance to wear, and chemical resistance.
Furthermore, in materials science, the derivatives of 3-(3,4,5 -Trimethoxyphenyl)acrylic acid chloride can be used to modify the surface of materials. This can change the surface energy, wettability, and reactivity of the materials.This can alter the surface energy, wettability and reactivity. For example, in the treatment of glass or metal surfaces, the compounds can be used to create a thin layer that improves the compatibility of the surface with other substances, which is beneficial in applications such as adhesion promotion in composite materials manufacturing.Compounds can be used, for example, to create a thin coating on glass or metal surfaces that will improve the compatibility of these surfaces with other substances. This is useful in applications like adhesion promotion when manufacturing composite materials. Overall, this compound plays important roles in multiple industries through its ability to participate in diverse chemical reactions and modify the properties of various substances.This compound is used in many industries because it can participate in chemical reactions and change the properties of different substances.
What are the safety precautions when handling 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride?
3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride is a chemical compound that requires certain safety precautions during handling. Here are some important ones.Here are a few important ones.
Firstly, personal protective equipment is essential.Personal protective equipment is a must. Wear appropriate chemical - resistant gloves.Wear gloves that are resistant to chemicals. Nitrile gloves are often a good choice as they can provide a barrier against the chemical.Nitrile gloves can be a good option as they provide a barrier to the chemical. This helps prevent skin contact, which could lead to irritation, burns, or potential absorption into the body.This will help prevent skin contact that could cause irritation, burns or absorption into the system. Additionally, put on safety goggles or a face shield.Wear safety goggles, or a face shield. This safeguards the eyes from any splashes that might occur during the handling process.This protects the eyes from any splashes which may occur during the handling. Inhalation is also a significant risk, so use a respirator with the appropriate cartridges to filter out any harmful fumes.Inhalation can also be a risk, so wear a respirator that has the right cartridges to filter any harmful fumes. This is particularly crucial if the handling is done in an area with poor ventilation.This is especially important if you are working in an area that has poor ventilation.
Secondly, work in a well - ventilated area.Second, make sure you are working in an area that is well-ventilated. A fume hood is the ideal workspace.The ideal workspace is a fume hood. The fume hood can effectively capture and exhaust any vapors or fumes generated during the handling of 3-(3,4,5 - Trimethoxyphenyl)acrylic acid chloride. This reduces the concentration of the chemical in the breathing zone, minimizing the risk of inhalation - related health problems.This reduces the concentration in the breathing zone of the chemical, minimizing health risks associated with inhalation.
Thirdly, when storing this compound, keep it in a cool, dry place away from sources of heat and ignition.Thirdly, store this compound in a cool and dry place, away from heat sources and ignition. It should be stored in a properly labeled container to prevent confusion.To avoid confusion, it should be stored in an appropriately labeled container. Ensure that the storage area is also away from incompatible substances.Make sure that the storage area does not contain any incompatible substances. For example, it should not be stored near strong bases as it can react violently with them.It should not, for example, be stored near bases that are strong as they can react violently.
Fourthly, in case of contact with the skin, immediately rinse the affected area with plenty of water for at least 15 minutes.In the event of contact with skin, rinse the affected area immediately with plenty of water and for at least 15 min. Then, seek medical attention. If it gets into the eyes, rinse them thoroughly with water for an extended period and also seek medical help promptly.If it gets in the eyes, rinse them with water for a long time and seek medical attention immediately. In the event of inhalation, move to fresh air immediately.In the event of an inhalation, get to fresh air as soon as possible. If breathing is difficult, provide oxygen and call for emergency medical services.If breathing is difficult, give oxygen and call emergency medical services.
Finally, when disposing of 3-(3,4,5 - Trimethoxyphenyl)acrylic acid chloride or any waste containing it, follow all local environmental regulations. Do not dispose of it down the drain or in regular trash.Do not put it in the regular trash or down the drain. Instead, use approved waste disposal methods to prevent environmental contamination.Use approved waste disposal methods instead to avoid contamination.
How is 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride synthesized?
The synthesis of 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride typically involves the following general steps.
First, start with 3,4,5 - trimethoxybenzaldehyde. This aldehyde can react with malonic acid in the presence of a base such as pyridine and a catalytic amount of piperidine.This aldehyde reacts with malonic acid when pyridine is present, as well as a catalytic quantity of piperidine. This is a Knoevenagel condensation reaction.This is a Knoevenagel reaction. The reaction mechanism involves the deprotonation of malonic acid by the base, followed by nucleophilic attack of the enolate ion on the carbonyl carbon of the aldehyde.The reaction involves deprotonation by the base of malonic acids, followed by a nucleophilic attack by the enolate on the carbonyl atom of the aldehyde. Subsequent dehydration occurs to form 3-(3,4,5 - trimethoxyphenyl)acrylic acid.
The reaction conditions for the Knoevenagel condensation usually require heating the reaction mixture, often in a solvent like pyridine, for a certain period, typically several hours, until the reaction reaches completion.The reaction conditions of the Knoevenagel condensate usually require heating the reaction mix, often in a pyridine-based solvent, for a period, usually several hours, to complete the reaction. The progress of the reaction can be monitored by techniques such as thin - layer chromatography (TLC).Techniques such as thin-layer chromatography (TLC) can be used to monitor the progress of the reaction.
After obtaining 3-(3,4,5 - trimethoxyphenyl)acrylic acid, the next step is to convert the carboxylic acid group to the acid chloride. This is commonly achieved by reacting the carboxylic acid with a chlorinating agent.This is usually achieved by reacting carboxylic acid and a chlorinating substance. Thionyl chloride (SOCl2) is a frequently used chlorinating agent for this purpose.Thionyl Chloride (SOCl2), a common chlorinating agent, is used for this purpose. When 3-(3,4,5 - trimethoxyphenyl)acrylic acid reacts with thionyl chloride, the hydroxyl group of the carboxylic acid is replaced by a chlorine atom. The reaction is usually carried out in an inert solvent such as dichloromethane or toluene.The reaction is carried out in a solvent that is inert, such as dichloromethane and toluene. A small amount of a catalyst like dimethylformamide (DMF) can be added to accelerate the reaction.To accelerate the reaction, a small amount of dimethylformamide can be added.
The reaction with thionyl chloride proceeds through an addition - elimination mechanism.The reaction with thionyl Chloride proceeds via an addition-elimination mechanism. First, the carboxylic acid adds to thionyl chloride, followed by the elimination of sulfur dioxide and hydrogen chloride gases.The carboxylic acid is added to the thionylchloride first, followed by the eliminations of sulfur dioxide and hydrochloride gases. The reaction is often exothermic, so it may need to be carefully controlled, usually by cooling the reaction mixture initially and then allowing it to warm to room temperature or slightly higher to complete the reaction.The reaction can be exothermic and may require careful control. Usually, the reaction mixture is cooled first, then allowed to warm up to room temperature, or slightly above, to complete the process. After the reaction is complete, the excess thionyl chloride and the by - products can be removed by evaporation under reduced pressure, leaving behind 3-(3,4,5 - Trimethoxyphenyl)acrylic acid chloride.
What are the physical and chemical properties of 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride?
Physical properties of 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride:
Appearance: It is likely to be a solid or a viscous liquid, depending on its melting point.Appearance: Depending on its melting temperature, it is likely to appear as a solid. Compounds with similar structures often have a crystalline or semi - crystalline appearance.Compounds that have similar structures tend to appear crystalline or semi-crystalline. Given the presence of multiple methoxy groups and an acrylic acid chloride moiety, it may appear as a white to off - white solid.It may appear white to off-white due to the presence of multiple acrylic acid chloride groups and multiple methoxy groups.
Melting point: The melting point is influenced by the intermolecular forces in the compound.Melting point: the melting point of a compound is affected by the intermolecular force. The methoxy groups contribute to the van der Waals forces, and the carboxylic acid chloride group can participate in dipole - dipole interactions.The van der Waals forces are influenced by the methoxy groups, and the dipole-dipole interactions can be influenced by the carboxylic acid chlorine group. Estimating from related compounds, it might have a melting point in the range of, say, 40 - 80 degC.Estimating from similar compounds, it could have a melting temperature in the range, say, of 40 -80 degC. However, this is a rough estimate as the exact value depends on the packing of the molecules in the solid state.This is only a rough estimation, as the exact melting point depends on how the molecules are packed in the solid state.
Solubility: In organic solvents, it should have good solubility in non - polar to moderately polar solvents.It should be soluble in organic solvents that are non-polar to moderately polar. For example, it would likely dissolve well in dichloromethane, chloroform, and ethyl acetate.It would dissolve well, for example, in dichloromethane and chloroform. The methoxy groups make the molecule somewhat lipophilic, facilitating its dissolution in organic solvents.The methoxy groups in the molecule make it lipophilic and facilitate its dissolution in organic solvants. In water, it is expected to be insoluble or have very low solubility.In water, the molecule is expected to have a very low or no solubility. This is because the molecule lacks significant hydrophilic groups that can form hydrogen bonds with water molecules, and the carboxylic acid chloride group is reactive towards water rather than being simply soluble.This is because it lacks hydrophilic groups which can form hydrogen bonds between water molecules and the carboxylic chloride group is more reactive than simply soluble.
Chemical properties of 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride:
Reactivity of the acid chloride group: The carboxylic acid chloride functional group is highly reactive.Reactivity of the acid-chloride group: The carboxylic chloride functional group has a high level of reactivity. It readily undergoes hydrolysis in the presence of water.It is easily hydrolyzed in the presence water. The reaction with water leads to the formation of 3-(3,4,5 - Trimethoxyphenyl)acrylic acid and hydrochloric acid. This hydrolysis reaction is quite exothermic.This hydrolysis is quite exothermic.
Nucleophilic substitution reactions: It can react with a variety of nucleophiles.It can react with many nucleophiles. For instance, when reacted with alcohols, it forms esters.When it reacts with alcohols, for example, it forms esters. The reaction with an alcohol like methanol would yield 3-(3,4,5 - Trimethoxyphenyl)acrylic acid methyl ester and hydrogen chloride. With amines, it forms amides.It forms amides with amines. If reacted with a primary amine such as ethylamine, 3-(3,4,5 - Trimethoxyphenyl)acrylamide derivatives would be produced along with the liberation of hydrochloric acid.
The double bond in the acrylic acid part also gives it additional reactivity.It also has an additional reactivity due to the double bond in its acrylic acid component. It can participate in addition reactions.It can be used in addition reactions. For example, it can react with bromine in an electrophilic addition reaction to add bromine atoms across the double bond, forming a dibromo derivative.It can, for example, react with bromine to add bromine across the double bond in an electrophilic reaction, forming a derivative. It can also undergo polymerization reactions under appropriate conditions due to the presence of the unsaturated double bond, especially in the presence of radical initiators.Due to the unsaturated double bonds, it can also undergo polymerization under the right conditions, especially when radical initiators are present. The methoxy groups on the phenyl ring can influence the reactivity of the double bond through electron - donating effects, making it more nucleophilic and thus more reactive towards electrophiles.The methoxy groups can influence the reactivity by electron - giving effects. This makes it more reactive towards electrophiles.
What are the storage conditions for 3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride?
3-(3,4,5-Trimethoxyphenyl)acrylic acid chloride is a chemical compound that requires specific storage conditions to maintain its stability and integrity.
Firstly, it should be stored in a cool environment.It should be stored in an environment that is cool. High temperatures can accelerate chemical reactions, potentially leading to decomposition or changes in its chemical properties.High temperatures can speed up chemical reactions and cause decomposition or change in chemical properties. A temperature range around 2 - 8 degrees Celsius is often ideal.Ideal temperatures are usually between 2 and 8 degrees Celsius. This temperature control helps to slow down any potential thermal - induced degradation processes.This temperature control slows down any thermal-induced degradation processes. For example, at higher temperatures, the chloride group in the compound might be more likely to react with other substances or initiate internal rearrangement reactions.At higher temperatures, for example, the chloride group of the compound may be more likely than usual to react with other substances, or initiate internal rearrangement.
Secondly, it needs to be stored in a dry place.Second, it must be stored in a place that is dry. Moisture can be extremely detrimental to this compound.Moisture is extremely harmful to this compound. Water can react with the acid chloride functional group.Water can react with an acid chloride functional. The reaction between water and an acid chloride typically results in the formation of the corresponding carboxylic acid and hydrogen chloride gas.Water and acid chlorides react to form carboxylic acids and hydrogen chloride. This not only changes the chemical nature of the 3-(3,4,5 - Trimethoxyphenyl)acrylic acid chloride but can also be dangerous as hydrogen chloride is a corrosive gas. Therefore, ensuring a dry storage environment, such as using desiccants in the storage area or storing it in a well - sealed container in a low - humidity room, is crucial.It is important to ensure a dry environment for storage, by using desiccants or storing the product in a tightly sealed container in an area with low humidity.
Thirdly, the compound should be stored away from light.Thirdly, the compound must be stored away from sunlight. Light, especially ultraviolet light, can initiate photochemical reactions.Photochemical reactions can be initiated by light, particularly ultraviolet light. These reactions can break chemical bonds in the molecule, leading to degradation.These reactions can lead to degradation by breaking chemical bonds within the molecule. For instance, the aromatic rings or the double bond in the acrylic acid part of the molecule might be affected by light - induced reactions.Light-induced reactions can affect the aromatic rings and double bonds in the acrylic acid portion of the molecule. To prevent this, storing the compound in opaque containers or in a dark storage area is recommended.To avoid this, it is recommended that the compound be stored in opaque containers or a dark area.
Finally, it should be stored in a well - ventilated area.It should also be stored in an area that is well-ventilated. In case there is any minor leakage or the release of small amounts of decomposition products, a well - ventilated environment can help to disperse these substances, reducing the risk of exposure to harmful chemicals.A well-ventilated environment can help disperse substances in the event of a minor leakage, or the release of small quantities of decomposition products. This will reduce the risk of exposure to harmful chemical. Also, proper ventilation helps to maintain a stable temperature and humidity level in the storage area.Proper ventilation also helps maintain a constant temperature and humidity in the storage area. Additionally, it should be stored separately from incompatible substances.It should also be stored away from other incompatible substances. Substances such as strong bases, for example, can react violently with acid chlorides, so they must be kept apart to avoid any potential hazardous reactions.Acid chlorides can react violently, for example, with substances such as strong bases. They must therefore be stored separately to avoid any potentially hazardous reactions.