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Product Name | 2-Phenylhydracrylic acid |
Cas Number | 156-41-2 |
Formula | C9H10O3 |
Molar Mass | 166.18 g/mol |
Property 1 Name | Melting Point |
Property 1 Value | 145-150°C |
Property 2 Name | Boiling Point |
Property 2 Value | Not available |
Property 3 Name | Density |
Property 3 Value | Not available |
Property 4 Name | Solubility in Water |
Property 4 Value | Slightly soluble |
Property 5 Name | Refractive Index |
Property 5 Value | Not available |
Property 6 Name | Appearance |
Property 6 Value | White crystalline powder |
Property 7 Name | Flash Point |
Property 7 Value | Not available |
Property 8 Name | Vapor Pressure |
Property 8 Value | Not available |
Property 9 Name | pKa |
Property 9 Value | 4.22 |
Property 10 Name | LogP |
Property 10 Value | 1.20 |
What is the chemical structure of 2-Phenylhydracrylic acid?
2 - Phenylhydracrylic acid is an organic compound.2 - Phenylhydracrylic Acid is an organic compound. Its chemical structure can be analyzed as follows:Its chemical structure is as follows:
The "hydracrylic acid" part provides the basic carbon - oxygen framework.The "hydracrylic" part provides a basic carbon-oxygen framework. Hydracrylic acid has a three - carbon chain with a carboxylic acid functional group (-COOH) at one end.Hydracrylic acid is a three-carbon chain with a carboxylic functional group (-COOH). The general formula for hydracrylic acid is C3H6O3, and its structure has a central carbon atom bonded to two other carbon atoms, with one of the terminal carbon atoms bearing the -COOH group.The general formula of hydracrylic is C3H6O3, with a central carbon bonding to two other carbons, and one of the terminal atoms bearing a -COOH functional group.
The "2 - phenyl" prefix indicates that a phenyl group is attached to the second carbon atom of the hydracrylic acid chain.The "2 - Phenyl" prefix indicates a phenyl is attached to the second atom of carbon in the hydracrylic chain. A phenyl group is a six - membered aromatic ring consisting of carbon atoms with alternating single and double bonds, and is represented as C6H5.A phenyl ring is a six-membered aromatic ring made up of carbon atoms that alternate between single and double bonds. It is represented by C6H5.
Combining these components, the chemical structure of 2 - Phenylhydracrylic acid has a three - carbon chain.The chemical structure of 2 – Phenylhydracrylic Acid is a three-carbon chain when these components are combined. The first carbon atom is part of the carboxylic acid group, -COOH.The first carbon atom belongs to the carboxylic group, -COOH. The second carbon atom is bonded to the phenyl group (C6H5).The second carbon is bonded to phenyl (C6H5). The third carbon atom is a simple methylene (-CH2 -) group.The third carbon atom has a simple methylene group (-CH2 --).
In a more detailed description, the carboxylic acid group has a carbonyl carbon double - bonded to an oxygen atom (C = O) and single - bonded to a hydroxyl group (-OH).In a more precise description, a carboxylic group has a double-bonded carbonyl carbon to an oxygen atom. (C = O). It also has a single-bonded carbonyl carbon to a hydroxyl (-OH) group. The carbon atom of the carboxylic acid group is connected to the rest of the three - carbon chain.The carboxylic group's carbon atom is connected to the remainder of the three-carbon chain. The second carbon of the chain, which is attached to the phenyl group, is in a key position linking the aromatic part to the aliphatic acid - containing part.The second carbon atom of the chain, attached to the group phenyl, is in an important position, linking the aromatic part with the aliphatic acids - containing portion. The methylene group at the end of the three - carbon chain provides a simple saturated carbon - hydrogen unit.The methylene group, at the end of a three-carbon chain, provides a simple saturated hydrogen - carbon unit. Overall, the structure combines the reactivity and properties of an aromatic group (the phenyl ring) with those of a carboxylic acid - containing aliphatic chain, which can lead to a variety of chemical reactions based on the reactivity of the -COOH group (such as esterification, acid - base reactions) and the aromatic ring (such as electrophilic aromatic substitution reactions).The structure combines properties and reactivity of an aromatic group, the phenyl, with those of a carboxylic - containing aliphatic ring. This can lead to a wide range of chemical reactions, based on the reactivity the -COOH groups (such acid-base reactions, esterification) and aromatic ring.
What are the applications of 2-Phenylhydracrylic acid?
2 - Phenylhydracrylic acid, also known as 2 - (phenylamino) propanoic acid, has several applications across different fields.The 2 - Phenylhydracrylic Acid, also known by the name 2 - (phenylamino), propanoic acids, has many applications in different fields.
In the pharmaceutical industry, 2 - Phenylhydracrylic acid can serve as an important intermediate in the synthesis of various drugs.In the pharmaceutical industry 2 - Phenylhydracrylic Acid can serve as an intermediate in the synthesis for various drugs. It can participate in chemical reactions to form compounds with potential biological activities.It can be used in chemical reactions that produce compounds with biological activity. For example, it may be incorporated into molecules designed to target specific biological pathways related to pain management, anti - inflammatory responses, or neurological disorders.It can be incorporated into molecules that target biological pathways such as pain management, anti-inflammatory responses, and neurological disorders. The phenyl and amino - acid - like structure of 2 - Phenylhydracrylic acid can contribute to the drug's ability to interact with biological receptors or enzymes in the body.The 2 - Phenylhydracrylic Acid's phenyl- and amino-acid-like structure can enhance the drug's interaction with biological receptors or other enzymes.
In the field of organic synthesis, it is a valuable building block.It is a very valuable building block in the field of organic syntheses. Chemists can utilize its unique structure to create more complex organic molecules.Chemists use its unique structure to make more complex organic molecules. Its carboxylic acid group and the phenyl - substituted amino group can undergo a variety of reactions such as esterification, amidation, and coupling reactions.Its carboxylic group and phenyl-substituted amino group can undergo various reactions, such as esterifications, amidations, and couplings. These reactions allow for the construction of diverse chemical architectures, which are essential for the development of new materials, agrochemicals, and fine chemicals.These reactions are crucial for the construction and development of new materials, fine chemicals, and agrochemicals.
For the production of polymers, 2 - Phenylhydracrylic acid can be used as a monomer or a modifier.In the production of polymers 2 - Phenylhydracrylic Acid can be used either as a monomer, or a modifier. When incorporated into a polymer chain, it can impart specific properties.It can be incorporated into polymer chains to impart specific properties. The phenyl group can enhance the hydrophobicity and rigidity of the polymer, while the amino acid - related part can introduce functionality such as the ability to interact with other molecules through hydrogen bonding.The phenyl group enhances the hydrophobicity of the polymer and its rigidity, while the amino-acid related part can add functionality like the ability to interact other molecules via hydrogen bonding. This can be useful in the development of polymers for applications like coatings, adhesives, and membranes.This can be used to develop polymers for coatings, membranes, and adhesives.
In the area of research and development, 2 - Phenylhydracrylic acid can be employed as a model compound to study chemical reactions, reaction mechanisms, and molecular interactions.In the field of research and development, 2- Phenylhydracrylic Acid can be used as a model to study chemical reactions and reaction mechanisms. It can also be used to study molecular interactions. Scientists can use it to gain insights into how different functional groups interact and how chemical transformations occur.Scientists can use this compound to gain insight into how different functional group interact and how chemical reactions occur. This knowledge can then be applied more broadly to the synthesis of other compounds with similar structural features.This knowledge can be used to synthesize other compounds with similar structures.
Overall, 2 - Phenylhydracrylic acid plays a significant role in multiple industries due to its versatile chemical structure and reactivity, enabling the creation of a wide range of useful products and the advancement of scientific knowledge.Overall, 2 – Phenylhydracrylic Acid plays a significant part in multiple industries because of its versatile chemical structure. Its reactivity and versatility enable the creation of many useful products and advances in scientific knowledge.
What are the properties of 2-Phenylhydracrylic acid?
2 - Phenylhydracrylic acid, also known as 2 - (phenylamino)propanoic acid, has several notable properties.
Physical Properties
In terms of appearance, 2 - Phenylhydracrylic acid typically exists as a solid at room temperature.At room temperature, 2 - Phenylhydracrylic Acid is typically a solid. Its melting point is an important characteristic that helps in its identification and purification.Its melting temperature is a key characteristic that aids in its identification and purification. Precise determination of the melting point can assist in differentiating it from other similar compounds.The melting point can be used to distinguish it from other compounds.
The compound has a certain solubility profile.The compound has a specific solubility profile. It may show limited solubility in non - polar solvents such as hexane due to the presence of polar functional groups, namely the carboxylic acid and the amino - attached phenyl group.It may have limited solubility in non-polar solvents, such as hexane, due to the presence polar functional groups. These include the carboxylic acids and the amino-attached phenyl groups. However, it is likely to have better solubility in polar solvents like water, ethanol, or methanol.It is more likely to be soluble in polar solvents such as water, ethanol or methanol. The carboxylic acid group can form hydrogen bonds with water molecules, enhancing its solubility in aqueous media.The carboxylic group can form hydrogen bond with water molecules to enhance its solubility in an aqueous medium.
Chemical Properties
The carboxylic acid group in 2 - Phenylhydracrylic acid is highly reactive.The carboxylic acid group of 2 - Phenylhydracrylic Acid is highly reactive. It can participate in acid - base reactions.It can be involved in acid-base reactions. For example, when treated with a base such as sodium hydroxide, it will form a salt.When treated with a base, such as sodium chloride, it forms a salt. This property is useful in separating and purifying the compound from a mixture.This property can be used to separate and purify the compound from a mix. The reaction with bases can also be exploited in the synthesis of derivatives.The reaction with bases is also useful in the synthesis and derivatives.
The amino - attached phenyl moiety also contributes to its chemical reactivity.The phenyl moiety attached to the amino group also contributes to its chemical reaction. The amino group can act as a nucleophile.The amino group may act as a nucleophile. It can react with electrophiles in substitution reactions.It can react with electronphiles during substitution reactions. For instance, it can react with acyl chlorides or anhydrides to form amide derivatives.It can, for example, react with acyl anhydrides or chlorides to form amides. These amide - type products may have different physical and chemical properties compared to the parent 2 - Phenylhydracrylic acid and can be used in various applications such as in the synthesis of pharmaceuticals or polymers.These amide-type products can have different physical and chemistry properties than the parent 2 – Phenylhydracrylic Acid and can be used for various applications, such as the synthesis or polymers.
The phenyl ring in the structure also has its own set of chemical behaviors.The phenyl ring also has its own chemical behavior. It can undergo electrophilic aromatic substitution reactions.It can undergo electrophilic aromatic substitute reactions. Common electrophiles like nitronium ions (in nitration reactions), acyl cations (in Friedel - Crafts acylation), or halogen - related electrophiles can react with the phenyl ring.Electrophiles such as nitronium (in nitrations), acyl (in Friedel-Crafts acylation) or halogen-related electrophiles are capable of reacting with the phenyl rings. These reactions can introduce new functional groups onto the phenyl ring, further expanding the chemical diversity of 2 - Phenylhydracrylic acid derivatives.These reactions can introduce functional groups onto the phenyl rings, increasing the chemical diversity of derivatives of 2 - Phenylhydracrylic Acid.
Overall, the combination of the carboxylic acid, amino - attached phenyl group, and the phenyl ring endows 2 - Phenylhydracrylic acid with a rich set of physical and chemical properties that make it a valuable compound in organic synthesis, medicinal chemistry, and other related fields.The combination of the carboxylic acids, amino-attached phenyl groups, and the phenyl rings endows 2- Phenylhydracrylic Acid with a rich collection of physical and chemical characteristics that make it an important compound in organic synthesis and medicinal chemistry.
How is 2-Phenylhydracrylic acid synthesized?
2 - Phenylhydracrylic acid can be synthesized through the following general approach.The following general approach can be used to synthesize 2 - Phenylhydracrylic Acid.
One common method involves the reaction starting from benzaldehyde.One common method is to start with benzaldehyde. First, benzaldehyde undergoes a reaction with malonic acid in the presence of a base such as pyridine.In the presence of a strong base, such as pyridine, benzaldehyde is first reacted with malonic acid. This is a Knoevenagel condensation reaction.This is a Knoevenagel reaction. The benzaldehyde reacts with malonic acid, where the active methylene group of malonic acid attacks the carbonyl carbon of benzaldehyde.The benzaldehyde is reacting with malonic acids, where the active methylene groups of malonic acids attack the carbonyl carbon in benzaldehyde. During this process, water is eliminated, and a product, cinnamic acid derivative, is formed.During the process, water is removed and a cinnamic derivative is formed.
After obtaining the cinnamic acid derivative, the next step is to reduce the double bond.The next step is to reduce double bonds. This can be achieved by catalytic hydrogenation.Catalytic hydrogenation can be used to achieve this. Using a suitable catalyst like palladium on carbon in the presence of hydrogen gas, the double bond in the cinnamic acid derivative is hydrogenated.The double bond of the cinnamic derivative is hydrogenated using a palladium catalyst on carbon in presence of hydrogen gas. This step leads to the formation of 3 - phenylpropanoic acid.This step results in the formation of 3-phenylpropanoic acids.
To introduce the hydrazo group and convert it into 2 - Phenylhydracrylic acid, the 3 - phenylpropanoic acid can be further reacted.The 3 -phenylpropanoic acids can be further treated to introduce the hydrazo groups and convert them into 2 - Phenylhydracrylic Acid. One possible route is to use appropriate reagents for the substitution reaction at the alpha - carbon position.Use of appropriate reagents to perform the substitution reaction in the alpha-carbon position is one possible method. For example, by using a reagent that can introduce a leaving group at the alpha - carbon of 3 - phenylpropanoic acid first.By using a reagent which can introduce a leaving-group at the alpha-carbon of 3 -phenylpropanoic acids. Then, reacting this intermediate with a hydrazo - containing reagent to replace the leaving group.This intermediate is then reacted with a reagent containing hydrazo to replace the leaving group. This substitution reaction will result in the formation of 2 - Phenylhydracrylic acid.This substitution reaction results in the formation 2 - Phenylhydracrylic Acid.
Another approach could start from phenylacetaldehyde.Another approach could begin with phenylacetaldehyde. Phenylacetaldehyde can react with diethyl malonate in the presence of a base, following a similar Knoevenagel - like condensation mechanism.Phenylacetaldehyde reacts with diethylmalonate when a base is present, using a Knoevenagel-like condensation mechanism. After the condensation reaction, hydrolysis and decarboxylation steps can be carried out.Hydrolysis and decarboxylation can be performed after the condensation reaction. Hydrolysis of the ester groups in the product from the condensation reaction using an acid or base catalyst will convert the esters to carboxylic acids.The ester groups of the product of the condensation reaction can be hydrolyzed using an acid or a base catalyst to convert them into carboxylic acids. Decarboxylation of the resulting dicarboxylic acid derivative under appropriate conditions (usually heating) will remove one of the carboxyl groups.Decarboxylation under suitable conditions (usually heating) of the dicarboxylic derivative will remove one carboxyl group.
Subsequently, similar to the previous method, the double bond in the resulting product can be reduced if present, and then the alpha - carbon functionalization to introduce the hydrazo group can be achieved through a series of substitution reactions, ultimately leading to the synthesis of 2 - Phenylhydracrylic acid.Then, using a similar method to the one used previously, the double-bond in the product can be reduced, if it is present. A series of substitution reactions can then be performed to introduce the hydrazo groups, leading to the final synthesis of 2- Phenylhydracrylic Acid. The specific reaction conditions, such as reaction temperature, reaction time, and reagent stoichiometry, need to be carefully optimized to obtain good yields of the target compound.To obtain high yields, it is important to optimize the reaction conditions such as temperature, time and reagent ratio.
What are the safety precautions when handling 2-Phenylhydracrylic acid?
When handling 2 - Phenylhydracrylic acid, several safety precautions are necessary.Safety precautions must be taken when handling 2 - Phenylhydracrylic Acid.
Firstly, personal protective equipment (PPE) is crucial.Personal protective equipment (PPE), 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 certain level of protection against contact with the acid.Nitrile gloves can offer a level of protection from acid contact. This helps prevent skin absorption, which could lead to skin irritation, burns, or potential systemic effects.This prevents skin absorption that could cause skin irritation, burns or systemic effects. Also, use safety goggles or a face shield to protect the eyes.Use safety goggles, or a face shield, to protect your eyes. In case of any splashes, the eyes are extremely vulnerable to the corrosive nature of the acid, and even a small amount in the eyes can cause severe damage.If there are any splashes of acid, the eyes will be extremely vulnerable. Even a small amount can cause serious damage.
Secondly, ensure proper ventilation. Work in a well - ventilated area, preferably under a fume hood.Work in an area that is well-ventilated, preferably under the fume hood. 2 - Phenylhydracrylic acid may release vapors that could be harmful if inhaled.2 - Phenylhydracrylic Acid may release vapors which could be harmful to inhale. Inadequate ventilation can lead to the build - up of these vapors, which may cause respiratory irritation, coughing, shortness of breath, or more serious respiratory problems over time.Inadequate ventilation may lead to a build-up of these vapors. This can cause respiratory irritation, coughing and shortness of breathe, or even more serious respiratory problems.
Thirdly, be careful during storage.Thirdly, take care when storing. Store 2 - Phenylhydracrylic acid in a cool, dry place away from heat sources and incompatible substances.Store 2 - Phenylhydracrylic Acid in a cool and dry place, away from heat sources. 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. Avoid storing it near strong oxidizing agents, bases, or other reactive chemicals as this could lead to potentially dangerous chemical reactions.Avoid storing it in close proximity to strong oxidizing agents or bases. This could cause dangerous chemical reactions.
Fourthly, in case of spills, take immediate action.Fourthly, take immediate action in the event of spills. If a spill occurs, first, evacuate the area if the amount is large or if there is a significant release of vapors.If there is a spill, evacuate the area first if it is large or if vapors are released. Then, wearing appropriate PPE, clean up the spill following the proper procedures.Wearing appropriate PPE, clean the spill according to the correct procedures. Small spills can usually be absorbed with an appropriate absorbent material, like vermiculite or sand.Small spills are usually absorbable with a suitable absorbent material like vermiculite, sand or other similar materials. The contaminated absorbent should then be placed in a proper waste container for disposal according to local regulations.The contaminated absorbent can then be placed into a waste container according to local regulations.
Finally, have access to first - aid supplies.Finally, ensure that you have first-aid supplies on hand. In the event of skin contact, immediately flush the affected area with plenty of water for at least 15 minutes and seek medical attention.If skin contact occurs, flush the affected area immediately with plenty of water and seek medical attention. For eye contact, irrigate the eyes with copious amounts of water for an extended period, such as 15 - 20 minutes, and then get immediate medical help.If you have eye contact, flush the eyes with a lot of water for a long time, like 15 to 20 minutes. Then, seek immediate medical attention. If inhaled, move to fresh air and if breathing is difficult, provide oxygen and call for medical assistance.If inhaled, get to fresh air. If breathing is difficult, give oxygen and call medical assistance. These precautions are essential to ensure the safe handling of 2 - Phenylhydracrylic acid.These precautions will ensure that 2 - Phenylhydracrylic Acid is handled safely.