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2-thienylacrylic Acid


Properties
Product Name 2-Thienylacrylic acid
Cas Number 6318-68-3
Formula C7H6O2S
Molar Mass 154.19 g/mol
Density 1.293 g/cm³
Melting Point 116-118 °C
Boiling Point 301.4 °C at 760 mmHg
Flash Point 135.6 °C
Solubility Slightly soluble in water
Appearance White to off-white crystalline powder
Pka 4.15
Refractive Index 1.565
Logp 2.13
FAQ

What is the chemical structure of 2-Thienylacrylic acid?

2 - Thienylacrylic acid is an organic compound with a specific chemical structure.2 - Thienylacrylic Acid is an organic compound that has a specific chemistry.
The core of its structure is based on an acrylic acid framework.The acrylic acid framework is the basis of its core structure. Acrylic acid has a formula of CH2=CH - COOH, consisting of a vinyl group (CH2=CH - ) attached to a carboxyl group (-COOH).Acrylic acid is a compound with the formula CH2=CH-COOH. It consists of a vinyl group attached to a carboxyl (-COOH) group.

In 2 - Thienylacrylic acid, one of the hydrogen atoms on the vinyl group of acrylic acid is replaced by a 2 - thienyl group.In 2 – Thienylacrylic Acid, one of hydrogen atoms in the vinyl group of Acrylic acid is replaced with a 2–thienyl group. The thienyl group is a five - membered heterocyclic ring containing four carbon atoms and one sulfur atom.The thienyl ring is a five-membered heterocyclic group containing four carbons and one sulfur. In the 2 - thienyl group, the sulfur atom is in the 1 - position and the point of attachment to the rest of the molecule is at the 2 - position of the thienyl ring.In the 2'-thienyl group the sulfur atom occupies the 1'-position and the point of attachment with the rest of molecule is located at the 2'-position of the thienyl rings.

So, the chemical structure of 2 - Thienylacrylic acid can be written as C6H4S - CH = CH - COOH.The chemical structure of 2 – Thienylacrylic Acid can be written as: C6H4S = CH – COOH. In this formula, C6H4S represents the 2 - thienyl group.In this formula, C6H4S is the 2 - Thienyl group. The double bond in the vinyl part of the structure (CH = CH) gives the molecule its unsaturated nature, which can participate in various addition reactions.The double bond in vinyl (CH = CH), gives the molecule an unsaturated character, which can be used in addition reactions. The carboxyl group (-COOH) imparts acidic properties to the compound.The carboxyl group (+COOH) gives the compound acidic properties. It can donate a proton in appropriate chemical environments, reacting with bases to form salts.In the right chemical environment, it can donate a proton and react with bases to produce salts. The presence of the thienyl ring also affects the physical and chemical properties of the molecule.The presence of a thienyl group also affects the chemical and physical properties of a molecule. The ring structure can influence solubility, reactivity, and spectroscopic properties.The ring structure has an impact on solubility, reactivity and spectroscopic characteristics. For example, the sulfur atom in the thienyl ring can participate in certain types of chemical reactions due to its lone pairs of electrons.Due to its single pairs of electrons, the sulfur atom within the thienyl rings can participate in certain chemical reactions. Overall, the combination of the thienyl group, the vinyl - like double bond, and the carboxyl group results in a unique chemical structure with distinct properties and potential applications in organic synthesis, pharmaceuticals, and materials science.The combination of the thienyl ring, the vinyl-like double bond, and carboxyl group creates a unique chemical structure that has distinct properties. It can be used in organic synthesis and pharmaceuticals.

What are the applications of 2-Thienylacrylic acid?

2 - Thienylacrylic acid has several important applications.Thienylacrylic Acid has many important applications.
In the field of pharmaceuticals, it serves as a crucial intermediate.It is a vital intermediate in the pharmaceutical industry. It can be used in the synthesis of various drugs.It can be used to synthesize various drugs. Its unique chemical structure allows for the development of compounds with specific biological activities.Its unique chemistry allows the development of compounds that have specific biological activities. For example, it can be incorporated into molecules designed to target certain biological pathways.It can be used to create molecules that target specific biological pathways. Some drugs synthesized using 2 - thienylacrylic acid may have potential anti - inflammatory properties.Some drugs synthesized with 2 -thienylacrylic acids may have anti-inflammatory properties. By interacting with specific receptors or enzymes in the body, these drugs can help reduce inflammation, which is beneficial in treating conditions like arthritis or certain skin inflammations.These drugs reduce inflammation by interacting with specific enzymes or receptors in the body. This is beneficial for treating conditions such as arthritis or certain skin irritations. Additionally, it may contribute to the development of drugs for treating neurodegenerative diseases.It may also contribute to the development and testing of drugs to treat neurodegenerative diseases. The acid's structure can potentially be modified to create molecules that can cross the blood - brain barrier and interact with relevant proteins or receptors involved in neurodegenerative processes.The structure of the acid can be altered to create molecules which can cross the blood-brain barrier and interact with relevant receptors or proteins involved in neurodegenerative processes.

In the area of materials science, 2 - thienylacrylic acid is used in the production of polymers.In the field of materials science, 2-thienylacrylic acids are used to produce polymers. When copolymerized with other monomers, it can impart special properties to the resulting polymers.It can give special properties to polymers when copolymerized. The thienyl group in 2 - thienylacrylic acid can enhance the electrical conductivity of polymers.The thienyl groups in 2 -thienylacrylic acids can increase the electrical conductivity. This makes the polymers suitable for applications in organic electronics.The polymers are therefore suitable for organic electronics. For instance, they can be used in the fabrication of organic light - emitting diodes (OLEDs).They can be used to fabricate organic light-emitting diodes. The modified polymers can improve the efficiency of light emission and the overall performance of OLEDs.Modified polymers can enhance the performance and efficiency of OLEDs. Moreover, in the production of photovoltaic materials, these polymers can play a role in enhancing the absorption of light and the transfer of charge, thereby improving the efficiency of solar cells.These polymers are also useful in the production and use of photovoltaic materials. They can enhance the absorption of the light, the transfer of the charge, and thus improve the efficiency of solar cell.

In the realm of agrochemicals, 2 - thienylacrylic acid can be a building block for the synthesis of pesticides or plant growth regulators.In the world of agrochemicals 2 - thienylacrylic can be used as a building blocks for the synthesis pesticides and plant growth regulators. It can be used to create molecules that target specific pests or regulate the growth of plants in a beneficial way.It can be used to create molecules which target specific pests, or regulate plant growth in a beneficial manner. For pesticides, the acid's structure can be tailored to have high affinity and toxicity towards certain harmful insects or fungi, while being less harmful to non - target organisms.Pesticides can be designed to have a high affinity and toxicity for certain harmful insects or fungal organisms, while being less harmful for non-target organisms. As for plant growth regulators, it can influence processes such as seed germination, root development, and flowering, helping to optimize crop yields and quality.For plant growth regulators it can influence processes like seed germination and root development. It also helps to optimize crop yields.

In the field of dyes and pigments, 2 - thienylacrylic acid can be utilized to develop novel colorants.In the field, 2 - Thienylacrylic Acid can be used to develop new colorants. Its chemical structure can be modified to produce dyes with unique absorption and emission properties.The chemical structure of the acid can be altered to produce dyes that have unique absorption and emissions properties. These dyes can find applications in textile dyeing, where they can provide bright and fast - fading resistant colors.These dyes are used in textile dyeing to produce bright, fast-fading colors. In addition, they can be used in the printing industry, offering better color saturation and durability compared to some traditional dyes.They can also be used in printing, where they offer better color saturation and durability than some traditional dyes.

How is 2-Thienylacrylic acid synthesized?

2 - Thienylacrylic acid can be synthesized through several methods.You can synthesize 2 - Thienylacrylic Acid using several methods. One common approach is the Knoevenagel condensation reaction.Knoevenagel condensation is a common method.
In this method, thiophene - 2 - carbaldehyde and malonic acid are used as starting materials.This method uses thiophene-2-carbaldehyde as a starting material. The reaction is typically carried out in the presence of a base catalyst.Typically, the reaction takes place in the presence a catalyst. Piperidine is often employed as the base.Piperidine is commonly used as a base. The reaction occurs in an organic solvent, such as pyridine.The reaction takes place in an organic solvent such as pyridine.

The mechanism of the Knoevenagel condensation begins with the deprotonation of malonic acid by the base, piperidine in this case.The Knoevenagel condensation is initiated by the deprotonation malonic acid. In this case, the base is piperidine. The resulting enolate anion then attacks the carbonyl carbon of thiophene - 2 - carbaldehyde.The enolate anion that results attacks the carbonyl atom of thiophene-2-carbaldehyde. This forms an intermediate.This forms an intermediary. Subsequently, a series of proton transfers and elimination reactions take place.A series of proton transfer reactions and elimination reactions follow. The elimination of a molecule of carbon dioxide from the intermediate leads to the formation of 2 - thienylacrylic acid.The elimination of one molecule of carbon dioxide from the intermediate results in the formation of 2-thienylacrylic acids.

Another possible synthesis route is via the Wittig reaction.The Wittig reaction is another possible route. For this, thiophene - 2 - carbaldehyde is reacted with a phosphorus ylide.This reaction involves a phosphorus-ylide and thiophene-2-carbaldehyde. The phosphorus ylide can be prepared in - situ from an alkyl halide and a phosphine, followed by treatment with a strong base.The phosphorus isocyanate can be made in situ by reacting an alkyl chloride with a phosphine and then treating it with a strong acid. When the thiophene - 2 - carbaldehyde reacts with the phosphorus ylide, a betaine intermediate is formed.When the thiophene-2-carbaldehyde reacts, a betaine is formed. This intermediate then undergoes a [2,3] - sigmatropic rearrangement, ultimately resulting in the formation of 2 - thienylacrylic acid along with a phosphine oxide by - product.This intermediate undergoes [2,3]-sigmatropic rearrangement resulting in 2 -thienylacrylic and a phosphine oxyde by-product.

The choice of synthesis method depends on various factors.The choice of synthesis depends on a number of factors. The Knoevenagel condensation is relatively straightforward and the starting materials, thiophene - 2 - carbaldehyde and malonic acid, are commercially available.The Knoevenagel condensate is relatively simple and the materials for it, thiophene-2-carbaldehyde, and malonic acid are readily available. The reaction conditions are not overly harsh and can be carried out under relatively mild temperature and pressure conditions.The reaction conditions do not have to be harsh. They can be carried out at relatively mild temperatures and pressures. The Wittig reaction, on the other hand, offers high selectivity in the formation of the double bond.The Wittig reactivity, on the contrary, is highly selective in the formation of double bonds. However, the preparation of the phosphorus ylide can be more complex and may require careful handling of reagents due to their reactivity.The preparation of phosphorus ylide is more complex, and requires careful handling of reagents because of their reactivity. In both cases, proper purification steps such as recrystallization or column chromatography are needed to obtain pure 2 - thienylacrylic acid.In both cases, purification steps like recrystallization or columns chromatography will be required to obtain pure 2-thienylacrylic acids. These purification steps are crucial to remove any unreacted starting materials, by - products, or catalysts from the final product.Purification is crucial to remove unreacted starting materials or by-products, as well as catalysts, from the final product.

What are the physical properties of 2-Thienylacrylic acid?

2 - Thienylacrylic acid has several distinct physical properties.Thienylacrylic Acid has distinct physical properties.
Appearance
It typically exists as a solid.It is usually a solid. In its pure form, it often appears as fine, white to off - white crystals or a crystalline powder.In its pure form it appears as fine crystals, ranging from off-white to white, or as a powder. This appearance is common for many organic acids with relatively high melting points, which prevent them from being in a liquid state at room temperature.This is a common appearance for many organic acid with high melting points that prevent them from being liquid at room temperature. The fine - grained nature of the crystals can give it a powdery texture when handled, and the white color indicates a relatively pure and well - ordered molecular structure.The fine-grained crystals can have a powdery texture, and the white color indicates that the molecular structure is relatively pure and well-ordered.

Melting Point
The melting point of 2 - thienylacrylic acid is an important physical property.The melting point of 2-thienylacrylic is an important property. It usually melts in the range of approximately 141 - 143 degC.It melts between 141-143 degC. This melting point is relatively high compared to some simple organic compounds.This melting point is higher than some simple organic compounds. The relatively strong intermolecular forces in 2 - thienylacrylic acid, such as hydrogen bonding and van der Waals forces, contribute to this high melting point.This high melting point is due to the relatively strong intermolecular interactions in 2 -thienylacrylic acids, such as hydrogen bonds and van der Waals force. The carboxylic acid group (-COOH) in 2 - thienylacrylic acid can form hydrogen bonds with neighboring molecules.The carboxylic group (-COOH), which is present in 2 -thienylacrylic acids, can form hydrogen bond with adjacent molecules. These hydrogen bonds hold the molecules together in a relatively stable lattice structure in the solid state, requiring a significant amount of energy (in the form of heat) to break and convert the solid to a liquid.These hydrogen bonds keep the molecules together and form a relatively stable structure in the solid state. It takes a lot of energy (in terms of heat) to break these hydrogen bonds and turn the solid into a liquid.

Solubility
2 - thienylacrylic acid shows different solubility behaviors in various solvents.The solubility of 2 - thienylacrylic acids varies in different solvents. It has limited solubility in water.Water is not soluble in it. The hydrophobic nature of the thienyl ring, which is an aromatic heterocyclic group, reduces its affinity for water molecules.The hydrophobic nature the thienyl group, which is an aromatic heterocyclic, reduces water molecules' affinity. However, it is more soluble in organic solvents.It is more soluble in organic solvants. For example, it is soluble in polar organic solvents like ethanol, methanol, and acetone.It is soluble, for example, in polar organics such as ethanol, methanol and acetone. The polar - organic solvents can interact with both the polar carboxylic acid group and the relatively non - polar thienyl ring through dipole - dipole interactions and van der Waals forces respectively.The polar organic solvents interact with the carboxylic acid groups and the non-polar thienyl rings through dipole-dipole interactions and van-der-Waals forces. This solubility in organic solvents makes it easier to handle and manipulate in organic synthesis and chemical reactions, as it can be dissolved and reacted in a homogeneous solution.This solubility makes it easier to manipulate and handle in organic synthesis, and chemical reactions.

Density
The density of 2 - thienylacrylic acid is another physical property that can influence its handling and behavior in different applications.The density of 2-thienylacrylic acids can also influence its handling, behavior and performance in different applications. Although the exact density value can vary slightly depending on purity and measurement conditions, it has a density typically around 1.3 g/cm3.The density of 2 - thienylacrylic acid can vary depending on the purity and measurement conditions. However, it is typically around 1.3g/cm3. This density is relatively higher than that of water (1 g/cm3), which means that 2 - thienylacrylic acid will sink in water if placed in it.This density is higher than water (1 g/cm3). Therefore, 2 - thienylacrylic will sink if it is placed in water. The density is related to the molecular mass and the packing efficiency of the molecules in the solid state.The density is determined by the molecular weight and the packing efficiency in the solid state. The relatively high molecular mass due to the combination of the thienyl ring and the acrylic acid moiety, along with the way the molecules are arranged in the crystal lattice, contributes to this density value.The density is influenced by the relatively high molecular weight due to the combination between the thienyl and acrylic acid moiety.

Is 2-Thienylacrylic acid hazardous?

2 - Thienylacrylic acid has certain potential hazards.Thienylacrylic Acid has some potential hazards.
First, in terms of health hazards, it may cause irritation to the skin.It can cause irritation of the skin. Contact with the skin can lead to redness, itching, and a burning sensation.Contact with the skin may cause redness, itchiness, and a feeling of burning. Prolonged or repeated contact might even result in more severe skin damage, such as dermatitis.Contact that is prolonged or repeated can lead to more severe skin damage such as dermatitis. When it comes to the eyes, it is highly irritating.It is extremely irritating to the eyes. If it gets into the eyes, it can cause intense pain, watering, and may even damage the eye tissues, potentially affecting vision.It can cause severe pain, eye watering, and even damage to the eye tissue, which could affect vision. Inhalation of its dust or vapors can irritate the respiratory tract.Inhaling its dust or vapors may irritate your respiratory tract. This may lead to symptoms like coughing, shortness of breath, and a sore throat.This can cause symptoms such as coughing, shortness in breath, and sore throat. In more serious cases, it could cause inflammation of the lungs over time.In more severe cases, it can cause inflammation of the lung over time.

From an environmental perspective, if 2 - Thienylacrylic acid is released into the environment, it may have an impact on aquatic life.If 2 - Thienylacrylic Acid is released into the atmosphere, it could have an impact on aquatic animals. It might be toxic to fish and other organisms in water bodies.It could be toxic to fish or other organisms living in water bodies. Even at relatively low concentrations, it could disrupt the normal physiological functions of these organisms, affecting their growth, reproduction, and survival.Even at low concentrations, it can disrupt the normal physiological function of these organisms and affect their growth, reproduction, or survival. In soil, it may also influence soil - dwelling organisms and the overall soil ecosystem.In soil it can also affect soil-dwelling organisms and the soil ecosystem. It could potentially change the soil chemistry and affect the activity of soil - based microorganisms that are crucial for nutrient cycling and plant growth.It could change soil chemistry, and affect soil-based microorganisms which are important for nutrient cycle and plant growth.

In addition, in a laboratory or industrial setting, 2 - Thienylacrylic acid needs to be handled with care.In addition, 2 - Thienylacrylic Acid must be handled with caution in a laboratory setting or an industrial setting. Since it can react with certain substances, improper storage or mixing with incompatible chemicals can lead to dangerous chemical reactions.It can react with certain substances. Improper storage or mixing it with incompatible chemicals may lead to dangerous chemical reaction. These reactions may release heat, generate toxic gases, or even cause explosions in extreme cases.These reactions can release heat, produce toxic gases, and even cause explosions.

Overall, although 2 - Thienylacrylic acid has its uses in the synthesis of various compounds, its potential hazards to human health and the environment should not be underestimated.Although 2 - Thienylacrylic Acid is useful in the synthesise of many compounds, it should not be underestimated for its potential hazards on human health and the environmental. Appropriate safety measures, such as wearing personal protective equipment like gloves, goggles, and masks when handling it, proper storage, and careful disposal procedures, are essential to minimize the risks associated with this chemical.To minimize the risks, it is important to take appropriate safety measures such as wearing protective equipment, like gloves, goggles and masks, when handling this chemical.