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Product Name | (2E)-3-(3-Methyl-2-thienyl)acrylic acid |
Cas Number | 123844-03-3 |
Formula | C8H8O2S |
Molar Mass | 168.21 g/mol |
Melting Point | N/A |
Boiling Point | N/A |
Density | N/A |
Solubility In Water | N/A |
Appearance | N/A |
Vapor Pressure | N/A |
Logp | N/A |
Stability | Stable under recommended storage conditions |
Flash Point | N/A |
Autoignition Temperature | N/A |
What are the applications of (2E)-3-(3-Methyl-2-thienyl)acrylic acid?
(2E)-3-(3-Methyl-2-thienyl)acrylic acid is a compound with potential applications in several areas.
One significant application is in the field of organic synthesis.One important application is in organic synthesis. It can serve as a key building block for the creation of more complex organic molecules.It can be used as a building block to create more complex organic molecules. Due to the presence of the acrylic acid moiety and the methyl - thienyl group, it can participate in various chemical reactions.It can be used in a variety of chemical reactions due to the presence both of the acrylic acid moiety as well as the methyl-thienyl group. For example, the double bond in the acrylic acid part can undergo addition reactions.The double bond of the acrylic acid can undergo addition reactions, for example. This allows chemists to introduce other functional groups, enabling the synthesis of novel compounds with tailored properties.This allows chemists introduce other functional groups and enable the synthesis of new compounds with tailored properties. These synthesized compounds may find use in pharmaceuticals, agrochemicals, or materials science.These compounds can be used in pharmaceuticals or agrochemicals.
In the pharmaceutical industry, derivatives of (2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid could potentially exhibit biological activities.In the pharmaceutical industry derivatives of (2E-3)-3-(3-Methyl-2-thienyl-acrylic acid may exhibit biological activity. The thienyl ring and the acrylic acid group together may interact with biological targets in the body.The thienyl group and the acrylic acid may interact with biological targets within the body. Compounds based on this structure could be designed to have antibacterial, antifungal, or anti - inflammatory properties.Compounds with this structure may be designed to have antibacterial or antifungal properties. Research in this area might involve modifying the molecule to optimize its binding affinity to specific receptors or enzymes involved in disease - related pathways.In this research, the molecule could be modified to improve its affinity for binding to specific receptors and enzymes involved in disease-related pathways.
In materials science, (2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid can contribute to the development of functional polymers.In materials science, (2E-3)-(3-Methyl- 2-thienyl-acrylic acid is a compound that can be used to develop functional polymers. By incorporating this compound into a polymer matrix, the resulting polymer may gain unique properties.This compound can be incorporated into a polymer matrix to give it unique properties. For instance, the thienyl group can enhance the optical or electrical properties of the polymer.The thienyl group, for example, can enhance the optical and electrical properties of the material. This could lead to the creation of polymers useful in optoelectronic devices such as light - emitting diodes (LEDs) or sensors.This could lead to polymers that are useful in optoelectronics devices like light-emitting diodes (LEDs), or sensors. The acrylic acid part can participate in polymerization reactions, allowing for the formation of polymers with controlled structures and properties.The acrylic acid can be used to participate in polymerization, allowing the formation of polymers that have controlled properties and structures.
Moreover, in the area of agrochemicals, derivatives of this compound could potentially be developed into pesticides or plant growth regulators.In addition, in the field of agrochemicals derivatives of this compound may be developed into plant growth regulators or pesticides. The unique chemical structure might interact with specific biological processes in pests or plants.The unique chemical structure could interact with specific biological processes within pests or plants. For example, it could disrupt the normal physiological functions of insects, acting as an insecticide, or it could influence plant growth and development in a beneficial way, similar to some known plant growth regulators.It could, for example, disrupt the normal physiological functions in insects, acting as insecticides, or it could affect plant growth and development positively, similar to known plant growth regulators. However, further research would be needed to fully explore and optimize these potential applications in the agrochemical field.Further research is needed to fully explore these potential applications within the agrochemical industry. Overall, (2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid holds promise as a versatile compound with potential across multiple important industries.Overall, (2E-3)-(3-Methyl- 2-thienyl-acrylic acid is a versatile compound that has potential in multiple industries.
What are the properties of (2E)-3-(3-Methyl-2-thienyl)acrylic acid?
(2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid has several important properties.The properties of (2E)-3(3-Methyl- 2-thienyl-)acrylic acid are important.
Physical properties:Physical Properties
In terms of appearance, it is likely to be a solid compound.It is likely that it will appear as a solid. The presence of the carboxylic acid group (-COOH) and the thiophene ring with a methyl substitution gives it a specific molecular structure that influences its physical state.The presence of a carboxylic acid group (+COOH) and a thiophene with a methyl substitute gives it a molecular structure which influences its physical state. Its melting point is determined by the intermolecular forces within the crystal lattice.The intermolecular forces in the crystal lattice determine its melting point. The carboxylic acid group can participate in hydrogen bonding, which generally increases the melting point.The carboxylic group can participate in hydrogen bonds, which increases the melting temperature. The thiophene ring and the methyl group also contribute to the overall van der Waals forces in the solid.The thiophene group and the methyl groups also contribute to the van der Waals forces.
The solubility of (2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid is an important property.Solubility is a very important property of (2E)-3 - (3 - Methyl-2 - Thienyl)acrylic Acid. The carboxylic acid group makes it somewhat polar, so it has some solubility in polar solvents such as water, alcohols like methanol and ethanol.It is polar due to the carboxylic acid group, and so is soluble in polar solvents like water, alcohols such as methanol, and ethanol. However, the hydrophobic nature of the thiophene ring and the methyl group limits its solubility in highly polar solvents.The hydrophobic natures of the thiophene and methyl groups limit its solubility in highly-polar solvents. It may have better solubility in less polar organic solvents like ethyl acetate or dichloromethane.It may be more soluble in organic solvents with a lower polarity, such as ethyl-acetate or dichloromethane.
Chemical properties:Chemical properties
The carboxylic acid group is highly reactive.The carboxylic acid group has a high level of reactivity. It can undergo acid - base reactions.It can undergo acid-base reactions. For example, it can react with bases such as sodium hydroxide (NaOH) to form the corresponding carboxylate salt.It can, for example, react with bases like sodium hydroxide to form the carboxylate salt. This reaction is useful for the purification and separation of the compound.This reaction can be used to purify and separate the compound. It can also react with alcohols in the presence of an acid catalyst to form esters through an esterification reaction.Esterification can be used to produce esters from alcohols when an acid catalyst is present. This is an important transformation in organic synthesis, as esters have different physical and chemical properties compared to the parent acid.This is a crucial transformation in organic synthesis because esters are different from the parent acid.
The double bond in the acrylic acid part of the molecule is also reactive.The double bond in acrylic acid is also reactive. It can participate in addition reactions.It can also participate in other reactions. For instance, it can react with hydrogen in the presence of a catalyst like palladium on carbon to undergo hydrogenation, converting the double bond to a single bond.It can, for example, react with hydrogen when a catalyst such as palladium is present on carbon. This will cause the double bond to be converted to a single one. It can also react with electrophiles in electrophilic addition reactions.It can also be used in electrophilic reactions. The thiophene ring, due to its aromatic nature, can participate in electrophilic aromatic substitution reactions.Due to its aromatic nature the thiophene can participate in electrophilic aromatic substitute reactions. The methyl group on the thiophene ring can influence the reactivity and regioselectivity of these substitution reactions.The methyl group of the thiophene can affect the reactivity and the regioselectivity in these substitution reactions. Overall, these chemical properties make (2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid a versatile compound in organic synthesis for the preparation of more complex molecules.These chemical properties make (2E - 3-(3 – Methyl- 2 – Thienyl-)acrylic acid an extremely versatile compound for organic synthesis.
How is (2E)-3-(3-Methyl-2-thienyl)acrylic acid synthesized?
(2E)-3-(3-Methyl-2-thienyl)acrylic acid can be synthesized through the following general approach.
1. Starting materials preparationStart materials preparation
The synthesis often begins with 3 - methyl - 2 - thienyl aldehyde and a suitable reagent for the formation of the acrylic acid moiety.The synthesis usually begins with a 3 - methyl-2 -thienylaldehyde, and a suitable reagent to form the acrylic acid moiety. The 3 - methyl - 2 - thienyl aldehyde can be prepared through methods such as oxidation of the corresponding alcohol or by appropriate substitution reactions on the thiophene ring.The 3 -methyl -2 -thienylaldehyde is prepared by oxidation or substitution reactions on thiophene rings.
2. Knoevenagel condensation
One of the common methods for synthesizing (2E)-3-(3 - methyl - 2 - thienyl)acrylic acid is via the Knoevenagel condensation reaction.Knoevenagel condensation is a common method for synthesising (2E)-3 - (3 - methyl-2 -thienyl-acrylic acid. In this reaction, 3 - methyl - 2 - thienyl aldehyde is reacted with a compound containing an active methylene group, typically malonic acid in the presence of a base catalyst.This reaction occurs when 3 - methyl-2 -thienylaldehyde reacts with a compound that contains an active methylene, usually malonic acid, in the presence a base catalyst.
The base catalyst, such as piperidine or pyridine, activates the malonic acid.The malonic acid is activated by the base catalyst such as piperidine and pyridine. The activated malonic acid attacks the carbonyl carbon of the 3 - methyl - 2 - thienyl aldehyde.The activated malonic acids attacks the carbonyl atom of the 3-methyl-2-thienylaldehyde. This forms an intermediate.This forms an intermediary. Subsequently, a series of proton transfers and elimination reactions occur.Then, a series proton transfer and elimination reactions take place. The elimination of carbon dioxide from the intermediate leads to the formation of the (2E)-3-(3 - methyl - 2 - thienyl)acrylic acid.The elimination of carbon from the intermediate results in the formation of (2E)-3 - (3 - methyl-2 -thienyl-acrylic acid. The reaction is usually carried out in an organic solvent like ethanol or toluene under reflux conditions.The reaction is carried out under reflux conditions in an organic solvent such as ethanol or toluene. The reflux helps to drive the reaction forward by providing the necessary energy for the reaction steps and also by removing the by - product water.The reflux is important for driving the reaction by providing energy to the reaction steps, and also by removing by-product water.
The E - configuration of the double bond is favored in this reaction due to the thermodynamic stability of the trans - olefin.This reaction is favored by the E-shape of the double bond due to the thermodynamic stabilty of the trans-olefin.
3. Purification
After the reaction is complete, the crude product is often purified.Purification is usually done after the reaction has finished. This can be achieved through techniques such as recrystallization.This can be done using techniques like recrystallization. The crude product is dissolved in a suitable hot solvent, such as a mixture of ethanol and water or ethyl acetate.The crude product is dissolved into a hot solvent such as a mixture ethanol/water or ethyl-acetate. As the solution cools, the (2E)-3-(3 - methyl - 2 - thienyl)acrylic acid crystallizes out, leaving behind impurities in the solution.As the solution cools down, the (2E-3)-3-(3-methyl-2-thienyl-acrylic acid crystallizes, leaving behind the impurities. Filtration is then used to isolate the pure crystals of the desired product.Filtration is used to isolate pure crystals of desired product. Another purification method could be column chromatography, where the crude product is loaded onto a column packed with a stationary phase (such as silica gel), and an appropriate eluent is used to separate the product from other reaction by - products and unreacted starting materials.Column chromatography is another purification method. The crude product is loaded on a column with a stationary phase, such as silica. An eluent (such a silica gel) is then used to separate it from other reaction products and unreacted materials.
What is the stability of (2E)-3-(3-Methyl-2-thienyl)acrylic acid?
(2E)-3-(3-Methyl-2-thienyl)acrylic acid is a type of organic compound. The stability of this compound can be influenced by several factors.This compound's stability can be affected by several factors.
1. Chemical Structure and Intrinsic StabilityChemical Structure and Intrinsic stability
The double bond in the acrylic acid part of the molecule is a site of reactivity.The double bond of the acrylic acid molecule is a reactivity site. However, the presence of the 3 - methyl - 2 - thienyl group can have a stabilizing effect.The presence of the 3-methyl-2-thienyl group, however, can have a stabilizing impact. The thienyl ring is an aromatic system.The thienyl system is aromatic. Aromatic compounds are generally more stable due to the delocalization of p - electrons within the ring.Aromatic compounds are more stable due the delocalization p- electrons in the ring. The methyl substitution on the thienyl ring can also impact stability.Stability can also be affected by the methyl substitution of the thienyl rings. The methyl group is electron - donating by the inductive effect.The inductive effect makes the methyl group electron-donating. This can influence the electron density of the thienyl ring and in turn, affect the stability of the entire molecule.This can affect the electron density of thienyl rings and, in turn, the stability of the whole molecule. The double bond in the acrylic acid moiety is in the trans (E) configuration.The double bond of the acrylic acid moiety has a trans (E). The trans configuration is often more stable than the cis configuration for acrylates because it reduces steric hindrance between the substituents on either side of the double bond.The trans configuration is more stable than the standard cis configuration because it reduces the steric hindrance on either side of a double bond.
2. Thermal StabilityThermal Stability
Regarding thermal stability, the compound's behavior depends on the strength of its chemical bonds.The strength of the chemical bonds in the compound determines its thermal stability. The carbon - carbon double bond in the acrylic acid part can undergo reactions such as isomerization or polymerization at elevated temperatures.The double carbon-carbon bond in the acrylic part can undergo reactions like isomerization or polmerization at high temperatures. The thienyl ring, being aromatic, has some resistance to thermal degradation.The aromatic thienyl rings are resistant to thermal degradation. But as the temperature rises, the molecule may start to break down.As the temperature increases, the molecule can begin to break down. For example, the carbon - carbon bonds in the side - chain connecting the thienyl ring to the acrylic acid group or the bonds within the thienyl ring itself may start to cleave.The carbon-carbon bonds in the side-chain connecting the thienyl group to the acrylic acid or the bonds within thienyl itself may begin to cleave. The presence of the methyl group may slightly increase the thermal stability by providing additional electron density and strengthening the adjacent bonds.The presence of a methyl group can increase thermal stability by increasing electron density and strengthening adjacent bonds.
3. Stability in Different EnvironmentsStability in different environments
In an acidic environment, the carboxylic acid group of (2E)-3-(3 - methyl - 2 - thienyl)acrylic acid can be protonated.In an acidic environment the carboxylic group of (2E-3)-3-(3-methyl-2-thienyl-acrylic acid may be protonated. This protonation can change the electronic properties of the molecule and potentially affect its stability.This protonation may affect the electronic properties and stability of the molecule. In a basic environment, the carboxylic acid group can be deprotonated to form a carboxylate anion.In a basic media, the carboxylic group can be deprotonated into a carboxylate anion. The carboxylate anion is resonance - stabilized, which may increase the overall stability of the molecule in basic media.The carboxylate anion has resonance stabilization, which can increase the stability of the molecule when in basic media. In an oxidizing environment, the double bond and the sulfur atom in the thienyl ring are potential sites for oxidation.In an oxidizing atmosphere, the double bonds and the sulfur atoms in the thienyl rings are potential sites for the oxidation. Oxidation can lead to the formation of new functional groups and a change in the molecule's structure and stability.Oxidation may lead to new functional groups, a change in a molecule's stability and structure.
Overall, (2E)-3-(3 - methyl - 2 - thienyl)acrylic acid has a certain level of stability due to its aromatic thienyl ring and trans - configured double bond.The aromatic thienyl rings and the trans-configured double bond give (2E)-3 - (3 - methyl-2 -thienyl-acrylic acid a certain degree of stability. But its stability can be compromised under specific conditions such as high temperatures, extreme pH, or in the presence of oxidizing agents.Its stability can be compromised by specific conditions, such as high temperatures, extreme pH or the presence of oxidizing substances.
What are the safety precautions when handling (2E)-3-(3-Methyl-2-thienyl)acrylic acid?
When handling (2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid, several safety precautions should be followed.Safety precautions must be taken when handling (2E)-3 - (3 - Methyl-2 - thienyl-acrylic acid.
First, personal protective equipment is crucial.Personal protective equipment is essential. Wear appropriate protective clothing, such as lab coats or coveralls, to prevent direct contact with the skin.Wear protective clothing such as lab coats and coveralls to avoid direct skin contact. Chemical - resistant gloves, preferably made of materials like nitrile, should be worn.Wear chemical-resistant gloves, preferably made from materials like nitrile. These gloves can provide a barrier against potential skin absorption or contact - induced irritation.These gloves can protect against skin absorption and contact-induced irritation. Additionally, safety goggles or a face shield should be used to protect the eyes from any splashes or airborne particles of the compound.Safety goggles or face shields should also be worn to protect eyes from any airborne particles or splashes of the compound.
Second, proper ventilation is essential. Work in a well - ventilated area, preferably a fume hood.Work in an area that is well-ventilated, preferably with a fume hood. (2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid may emit vapors or dust particles during handling.When handling (2E)-3 - (3 - Methyl- 2 – thienyl-acrylic acid, vapors and dust particles may be released. A fume hood can effectively remove these potentially harmful substances from the breathing zone, reducing the risk of inhalation.A fume hood will effectively remove these potentially hazardous substances from the breathing area, reducing the risk for inhalation. Inhalation of the compound might cause respiratory irritation, so maintaining good air circulation is vital.Inhalation could cause respiratory irritation. Maintaining good air circulation will help to prevent this.
Third, take care during storage.Third, be careful during storage. Store the (2E)-3-(3 - Methyl - 2 - thienyl)acrylic acid in a cool, dry place away from sources of heat, ignition, and incompatible substances.Store the (2E-3)-(3-Methyl- 2-thienyl-acrylic acid) in a cool and dry place, away from heat sources, ignitions, and incompatible substances. It should be kept in a tightly sealed container to prevent leakage and evaporation.Keep it in a tightly-sealed container to prevent leaking and evaporation. Label the container clearly with the name of the compound, its hazards, and any relevant safety information.Label the container with the name of compound, its hazards and any relevant safety info.
Fourth, when weighing or transferring the substance, use proper techniques.Use the correct techniques when weighing and transferring the substance. Avoid generating dust by gently handling the solid form.Handle the solid form gently to avoid generating dust. If dissolving it in a solvent, do so slowly and with constant stirring to prevent splashing.Dissolve it slowly in a solvent and stir constantly to avoid splashing. In case of accidental contact with the skin, immediately wash the affected area with plenty of water for at least 15 minutes.If you accidentally touch the skin, wash it immediately with lots of water and for at least 15 mins. If it gets into the eyes, rinse thoroughly with water and seek immediate medical attention.If it gets in the eyes, wash them thoroughly with water. Seek immediate medical attention. In case of inhalation, move to fresh air and get medical help if symptoms such as coughing or shortness of breath occur.If you inhale the substance, get to fresh air immediately and seek medical attention if symptoms like coughing or shortness-of-breath occur. And in the event of ingestion, do not induce vomiting unless directed by a medical professional, and seek emergency medical assistance promptly.In the case of ingestion, you should not induce vomiting without the permission of a medical professional. You should also seek immediate medical attention if you experience symptoms such as coughing or shortness of breath.