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Product Name | (2E)-3-(2-Methylphenyl)acrylic acid |
Cas Number | 614-78-8 |
Formula | C10H10O2 |
Molar Mass | 162.19 g/mol |
Property 1 | Melting Point: 207-210°C |
Property 2 | Boiling Point: 310°C |
Property 3 | Density: 1.19 g/cm³ |
Property 4 | Solubility: Slightly soluble in water |
Property 5 | Appearance: White crystalline powder |
Property 6 | Flash Point: 138.7°C |
Property 7 | pKa: 4.45 |
Property 8 | Refractive Index: n20/D 1.619 |
Property 9 | Stability: Stable under recommended storage conditions |
Property 10 | Storage conditions: Store in a cool, dry place |
What is the chemical structure of (2E)-3-(2-Methylphenyl)acrylic acid?
(2E)-3-(2 - Methylphenyl)acrylic acid has a specific chemical structure.The chemical structure of (2E)-3 - (2- Methylphenyl-acrylic acid is unique. Let's break it down step by step.Let's take it step by step.
First, the "acrylic acid" part provides a fundamental framework.First, "acrylic acid" provides a basic framework. Acrylic acid has the general formula CH2=CH - COOH.Acrylic acid is represented by the general formula CH2=CH-COOH. 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 double bond in the vinyl group is what gives acrylic acid its characteristic reactivity, being able to participate in various addition reactions.The double bond of the vinyl group gives acrylic acid its characteristic reaction, allowing it to participate in a variety of addition reactions.
Now, looking at the prefix "(2E)", this indicates the configuration around the double bond in the molecule.The prefix "(2E)," indicates the configuration of the double bond around the molecule. The "E" stands for "entgegen" in German, which means opposite.The "E" in German stands for "entgegen", which means opposite. In the context of double - bond isomerism, it implies that the two higher - priority groups are on opposite sides of the double bond.The double-bond isomerism implies that the two groups with higher priority are on opposite sides.
The "3-(2 - Methylphenyl)" part shows the substitution on the acrylic acid structure.The "3-(2-Methylphenyl)," part shows the substitute on the acrylic acid. At the 3 - position of the acrylic acid chain (counting from the carboxyl - carbon as 1), there is a phenyl group (a six - membered aromatic ring with the formula C6H5) that has a methyl group (-CH3) attached to the 2 - position of the phenyl ring.The phenyl group is located at the 3 – position of the chain of acrylic acid (counting the carboxyl-carbon as 1) and has a methyl (-CH3) group attached to the 2– position of the phenyl.
So, in (2E)-3-(2 - Methylphenyl)acrylic acid, the double bond in the acrylic acid moiety has the E - configuration.The double bond in the acrylic moiety of (2E)-3 -(2-Methylphenylphenyl-acrylic acid has the E-configuration. One side of the double bond is connected to the carboxyl group, and the other side is attached to the 2 - methylphenyl group.The double bond has two sides. One side is connected to a carboxyl group and the other is attached to a 2 - methylphenyl. The 2 - methylphenyl group consists of a benzene ring where one of the hydrogen atoms on the benzene ring, at the position adjacent to the point of attachment to the acrylic acid chain, is replaced by a methyl group.The 2 -methylphenyl group is a benzene group where one of its hydrogen atoms, located at the point of attachment with the acrylic acid chain, has been replaced by a group of methyl.
In summary, the chemical structure of (2E)-3-(2 - Methylphenyl)acrylic acid combines the basic acrylic acid structure with a specifically substituted phenyl group at the 3 - position of the acrylic acid chain, with a defined E - configuration around the double bond.The chemical structure of (2E-3)-3-(2-Methylphenyl-)acrylic acid is a combination of the basic acrylic structure with a substituted phenyl at the 3 – position of the chain of acrylic acid, with a defined E- configuration around double bond. This structure gives the compound its unique physical and chemical properties, which can be used in various applications such as in the synthesis of polymers, pharmaceuticals, or other organic compounds.This structure gives it its unique chemical and physical properties. It can be used for a variety of applications, such as the synthesis or polymers, pharmaceuticals or other organic compounds.
What are the applications of (2E)-3-(2-Methylphenyl)acrylic acid?
(2E)-3-(2-Methylphenyl)acrylic acid, also known as o -tolylacrylic acid, has several applications in different fields.
In the pharmaceutical industry, it can serve as an important intermediate.It can be used as an intermediate in the pharmaceutical industry. Its unique chemical structure allows for the synthesis of various bioactive compounds.Its unique chemistry allows the synthesis of bioactive compounds. For example, some derivatives of this acid may exhibit anti - inflammatory properties.Some derivatives of the acid, for example, may have anti-inflammatory properties. By modifying the molecule further, chemists can design drugs that target specific biological pathways related to inflammation.By further modifying the molecule, chemists are able to design drugs that target specific pathways in the body related to inflammation. Additionally, it may be used in the development of drugs for treating neurodegenerative diseases.It can also be used to develop drugs for neurodegenerative diseases. The presence of the phenyl group with a methyl substitution can interact with specific receptors in the nervous system, potentially leading to the creation of novel therapeutic agents.The presence of a phenyl group with an methyl substitution may interact with specific neuronal receptors, leading to the development of novel therapeutic agents.
In the field of materials science, (2E)-3-(2 - Methylphenyl)acrylic acid can be used in the preparation of polymers.In the field of materials, (2E-3)-3-(2-Methylphenyl-acrylic acid is used to prepare polymers. When copolymerized with other monomers, it can impart special properties to the resulting polymers.Copolymerizing with other monomers can give the polymers special properties. For instance, the introduction of this acid into a polymer matrix can enhance the polymer's solubility in certain organic solvents.This acid can be introduced into a polymer matrix to increase its solubility in organic solvents. This property is useful for applications where the polymer needs to be processed in solution, such as in the production of coatings.This property is particularly useful in applications where the polymer must be processed in a solution, like in the production coatings. The acid can also improve the adhesion of the polymer to different substrates, making it suitable for use in adhesives.The acid can improve the adhesion between the polymer and different substrates. This makes it suitable for use as an adhesive.
Furthermore, in the area of organic synthesis, it is a valuable building block.It is also a valuable building-block in the field of organic synthesis. It can participate in a variety of chemical reactions, like Diels - Alder reactions.It can be used in a wide range of chemical reactions such as Diels-Alder reactions. These reactions can create complex cyclic structures, which are fundamental in the synthesis of natural products and other complex organic molecules.These reactions can produce complex cyclic molecules, which are essential in the synthesis and synthesis of organic molecules. The double bond in (2E)-3-(2 - Methylphenyl)acrylic acid is reactive, enabling the formation of new carbon - carbon bonds, and the methyl - substituted phenyl group can influence the regioselectivity and stereoselectivity of these reactions.The double bond in (2E-3)-3-(2-Methylphenyl-)acrylic acid, which is reactive, can lead to the formation of new carbon-carbon bonds. The methyl-substituted phenyl groups can also influence the stereoselectivity and regioselectivity.
In the flavor and fragrance industry, some of its derivatives might have potential applications.Some of its derivatives could be used in the flavor and fragrance industries. The unique molecular structure can give rise to pleasant scents or flavors.The unique molecular structures can produce pleasant scents and flavors. Modifying the acid through esterification or other chemical reactions can create compounds with distinct olfactory or gustatory properties, which can be used in the formulation of perfumes, food flavorings, and cosmetics.Modifying the acid by esterification or through other chemical reactions will create compounds that have distinct olfactory and gustatory properties. These compounds can be used to formulate perfumes, food flavors, and cosmetics. Overall, (2E)-3-(2 - Methylphenyl)acrylic acid is a versatile compound with wide - ranging applications across multiple industries.Overall, (2E - 3-(2- Methylphenyl )acrylic acid has a wide range of applications in multiple industries.
What are the properties of (2E)-3-(2-Methylphenyl)acrylic acid?
(2E)-3-(2-Methylphenyl)acrylic acid is an organic compound with several notable properties.
First, in terms of its physical state, it is often a solid at room temperature.It is usually a solid when it is at room temperature. Its melting point is an important characteristic that helps in identifying and purifying the compound.Its melting temperature is an important characteristic to identify and purify the compound. Precise determination of the melting point can provide information about its purity; a pure sample will have a sharp and well - defined melting point range, while impurities can lower and broaden this range.The melting point of a compound can be used to determine its purity. A pure sample will have an extremely sharp melting point range while impurities may lower or broaden it.
The compound has a characteristic odor, which is typical of many organic acids with aromatic substituents.The compound has an odor that is characteristic of many organic acids containing aromatic substituents. The odor can be used as a rough identifier, although it is not a definitive method for identification.The odor is a rough way to identify the compound, but it's not a definitive identification method.
Chemically, (2E)-3-(2-Methylphenyl)acrylic acid contains a carboxylic acid functional group (-COOH) and a carbon - carbon double bond (C = C) in the trans (E) configuration, along with an aromatic 2 - methylphenyl group. The carboxylic acid group imparts acidic properties to the molecule.The carboxylic group gives the molecule acidic properties. It can donate a proton (H+) in an aqueous solution, reacting with bases to form salts.It can donate a proton (H+) to an aqueous solvent, reacting with bases to produce salts. For example, when reacted with sodium hydroxide (NaOH), it forms the corresponding sodium salt and water.When reacted with NaOH, it forms the sodium salt and water.
The carbon - carbon double bond makes the compound reactive towards addition reactions.The double carbon-carbon bond makes the compound reactive to addition reactions. It can undergo electrophilic addition reactions, where an electrophile attacks the electron - rich double bond.It can undergo electrophilic reactions where an electrophile attacks a double bond rich in electrons. For instance, it can react with bromine (Br2) in an addition reaction to form a dibromo - derivative, adding two bromine atoms across the double bond.It can, for example, react with bromine in an addition reaction, adding two bromine molecules across the double bond.
The aromatic 2 - methylphenyl group also influences the compound's properties.The 2 - methylphenyl aromatic group also influences the compound properties. Aromatic rings are relatively stable due to resonance, and they can participate in electrophilic aromatic substitution reactions.Aromatic rings can be electrophilic aromatic substitutions and are relatively stable because of resonance. The methyl group on the phenyl ring is an electron - donating group, which can direct incoming electrophiles to specific positions on the aromatic ring during substitution reactions.The methyl group of the phenyl group is an electron-donating group that can direct incoming ions to specific positions within the aromatic ring.
In terms of solubility, (2E)-3-(2-Methylphenyl)acrylic acid is likely to be sparingly soluble in water due to the non - polar nature of the aromatic and the relatively large hydrocarbon part of the molecule. However, it may dissolve well in organic solvents such as ethanol, acetone, and dichloromethane, which have similar non - polar or polar - organic characteristics that can interact with the different parts of the molecule.It may dissolve in organic solvents like ethanol, dichloromethane and acetone which have similar non-polar or polar-organic characteristics.
These properties make (2E)-3-(2-Methylphenyl)acrylic acid useful in various chemical syntheses, for example, as a starting material for the preparation of more complex organic compounds that may incorporate its unique structural features.
How is (2E)-3-(2-Methylphenyl)acrylic acid synthesized?
(2E)-3-(2 - Methylphenyl)acrylic acid can be synthesized through the following general approach.The following general approach can be used to synthesize (2E)-3 -(2- Methylphenyl-)acrylic acid.
One common method is via a Knoevenagel condensation reaction.Knoevenagel condensation is a common method. The starting materials typically include 2 - methylbenzaldehyde and an appropriate malonic acid derivative.The starting materials are typically 2 - methylbenzaldehyde, and a malonic acid derivative.
First, 2 - methylbenzaldehyde is prepared. It can be obtained from 2 - methyltoluene through oxidation processes.It can be made from 2 -methyltoluene by oxidation. For example, by using oxidizing agents like manganese dioxide in the presence of sulfuric acid under specific reaction conditions.Manganese dioxide, for example, can be used in conjunction with sulfuric acid to produce a specific reaction. This oxidation converts the methyl group on the benzene ring adjacent to the aldehyde - forming functional group to an aldehyde group.This oxidation transforms the methyl group adjacent to the functional group of the aldehyde on the benzene rings into an aldehyde.
The malonic acid derivative, often malonic acid itself or a diester of malonic acid such as diethyl malonate, is used as the other key reactant.The malonic derivative, which is often malonic or a diester such as diethylmalonate, can be used as the second key reactant. In the Knoevenagel condensation reaction, a base catalyst is employed.A base catalyst is used in the Knoevenagel reaction. A common base for this reaction is piperidine.Piperidine is a common base in this reaction. When 2 - methylbenzaldehyde reacts with malonic acid or its derivative in the presence of the base catalyst, the reaction proceeds as follows:When malonic acid or its derivative is present in the presence of a base catalyst, 2 - methylbenzaldehyde will react as follows:
The base first deprotonates the active methylene group of the malonic acid derivative.The base deprotonates first the active methylene of the malonic derivative. The resulting enolate anion then attacks the carbonyl carbon of 2 - methylbenzaldehyde.The enolate anion that results attacks the carbonyl atom of 2-methylbenzaldehyde. This forms an intermediate.This forms an intermediary. Subsequently, a series of intramolecular proton transfers and elimination reactions occur.Then, a series intramolecular proton transfer and elimination reactions take place. If malonic acid is used directly, the elimination step leads to the formation of carbon dioxide gas along with the formation of (2E)-3-(2 - methylphenyl)acrylic acid.If malonic acid directly is used, the elimination step results in the formation of carbon dioxide and (2E)-3 - (2-methylphenyl-acrylic acid. When a diester of malonic acid like diethyl malonate is used, an additional hydrolysis step is required.If a diester, such as diethylmalonate, is used to make malonic acid, a hydrolysis step must be performed. After the Knoevenagel condensation product (a diester) is formed, hydrolysis with an acid or a base can convert the diester to the carboxylic acid, which is (2E)-3-(2 - methylphenyl)acrylic acid.After the Knoevenagel product (a diester), hydrolysis with an base or acid can convert the diester into the carboxylic acids, which is (2E - 3-(2-methylphenylphenyl)acrylic Acid.
Another possible synthetic route could involve the use of Wittig - type reactions.A second possible route to synthesize the compound could be through Wittig-type reactions. An appropriate phosphonium ylide, prepared from a phosphonium salt and a strong base, could react with a 2 - methylbenzaldehyde - derived carbonyl compound.A phosphonium-derived carbonyl compound could be reacting with an appropriate phosphonium-ylide prepared from a phosphonium-salt and a strong acid. The ylide reacts with the aldehyde to form an alkene, which can be further functionalized and converted to the desired (2E)-3-(2 - methylphenyl)acrylic acid through subsequent chemical reactions.The ylide reacts to form an alkene. This alkene can then be functionalized to produce the desired (2E-3)-3-(2-methylphenyl-acrylic acid by subsequent chemical reactions. However, the Knoevenagel condensation is a more straightforward and commonly used method for the synthesis of this particular acrylic acid derivative due to its relatively simple reaction conditions and readily available starting materials.Knoevenagel condensation, however, is a simpler and more common method to synthesize this particular acrylic acid derivate due to its relatively easy reaction conditions and readily-available starting materials.
What are the safety precautions when handling (2E)-3-(2-Methylphenyl)acrylic acid?
(2E)-3-(2-Methylphenyl)acrylic acid is a chemical compound that requires certain safety precautions during handling.
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 contact with the chemical, preventing skin absorption which could lead to irritation, allergic reactions or potential systemic effects.Nitrile gloves can be a good option as they provide a barrier to contact with the chemical and prevent skin absorption, which could cause irritation, allergic reactions, or systemic effects. Additionally, safety goggles should be worn at all times.Safety goggles are also recommended to be worn at any time. This chemical can be harmful if it comes into contact with the eyes, potentially causing eye irritation, burns, or damage to the cornea.This chemical is harmful if it gets into the eyes. It can cause irritation, burns or damage to the cornea. A lab coat or other protective clothing should also be worn to prevent the chemical from coming into contact with regular clothing and skin.Wearing a lab coat or other protective clothing will also prevent the chemical from contacting clothing and skin.
Secondly, ensure proper ventilation. Work in a well - ventilated area, preferably under a fume hood.Work in an area that is well-ventilated, preferably with a fume hood. (2E)-3-(2 - Methylphenyl)acrylic acid may emit fumes, especially when heated or in concentrated forms.When heated or concentrated, (2E)-3 -(2 phenylphenyl-acrylic acid can emit fumes. Inhalation of these fumes can cause respiratory irritation, coughing, shortness of breath, and potentially more serious lung problems over time.Inhaling these fumes may cause respiratory irritation, coughing and shortness of breathe, as well as potentially more serious lung conditions over time. The fume hood helps to capture and exhaust these fumes, keeping the air in the working environment clean and safe.The fume hood is designed to exhaust and capture these fumes. This helps keep the air in your working environment safe and clean.
Thirdly, be cautious during storage.Thirdly, take care when storing the compound. Store the compound in a cool, dry place away from sources of heat and ignition.Store the compound in an area that is cool and dry, away from heat sources and ignition. It may be flammable under certain conditions, so keeping it away from open flames, hot surfaces, and other potential ignition sources is crucial.It is important to keep it away from flames, hot surfaces and other ignition sources. Also, store it in a tightly - sealed container to prevent spills and the release of fumes into the storage area.Store it in a tightly-sealed container to avoid spills and fumes entering the storage area.
Fourthly, in case of spills, act promptly.Act quickly in the event of spills. If a spill occurs, first, evacuate the area if the spill is large or if fumes are being released.If there is a spill, you should first evacuate the area, especially if it is large or if fumes will be released. Then, wearing appropriate protective gear, clean up the spill according to proper procedures.Wearing appropriate protective gear, clean the spill using proper procedures. Small spills can often be absorbed with an appropriate absorbent material like vermiculite or sand.Small spills are often absorbable with a suitable absorbent material such as vermiculite, sand or other similar materials. The absorbed material should then be disposed of properly according to local regulations.The absorbed material must then be disposed according to local regulations.
Finally, be aware of emergency procedures.Be aware of the emergency procedures. Know the location of safety showers, eyewash stations, and fire extinguishers in the working area.Know where the safety showers, eyewashes, and fire extinguishers are located in the work area. In case of skin contact, immediately rinse the affected area with plenty of water for at least 15 minutes and seek medical attention if irritation persists.If skin contact occurs, rinse the area thoroughly with water for at least fifteen minutes. Seek medical attention if irritation continues. If it gets into the eyes, flush the eyes with copious amounts of water for at least 15 minutes and consult a doctor.If it gets in the eyes, flush them with plenty of water for 15 minutes at least and consult a physician. In case of inhalation, move to fresh air immediately and seek medical help if breathing difficulties occur.In the event of inhalation, get to fresh air as soon as possible and seek medical attention if breathing problems occur.