.

(2e)-3-(5-nitrocyclohex-1-enyl)acrylic Acid


Properties
Product Name (2E)-3-(5-nitrocyclohex-1-enyl)acrylic acid
Cas Number 70500-72-0
Formula C9H11NO4
Molar Mass 197.19 g/mol
Boiling Point Not available
Melting Point 160-163°C
Density Not available
Solubility Not available
Appearance Solid
Color Yellow to Beige
Pka Not available
Stability Stable under recommended storage conditions
Storage Conditions Store in a cool, dry place
Hazard Statements Not available
Precautionary Statements Not available
FAQ

What is the chemical structure of (2E)-3-(5-nitrocyclohex-1-enyl)acrylic acid?

(2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid is an organic compound with a specific chemical structure.The chemical compound (2E)-3(5-nitrocyclohex-1-enyl-acrylic) acid has a specific structure.
Let's break down its structure description.Let's break it down into its structure description. First, consider the basic framework.Consider the basic framework. It contains a cyclohexene ring.It contains a cyclene ring. In the cyclohexene ring, there are six carbon atoms forming a cyclic structure with one double bond.The cyclohexene rings contain six carbon atoms that form a cyclic ring with one double bond. The double bond in the cyclohexene ring gives it the characteristic unsaturation of an alkene.The double bond in the alkene ring gives the cyclohexene its characteristic unsaturation.

Attached to the cyclohexene ring at the 5 - position is a nitro group.A nitro group is attached to the cyclohexene at the 5 – position. The nitro group consists of a nitrogen atom double - bonded to two oxygen atoms (NO2).The nitro group is made up of a double-bonded nitrogen atom (NO2) and two oxygen atoms. This nitro group is an electron - withdrawing group, which can significantly affect the reactivity and physical properties of the molecule.This nitro group can have a significant impact on the reactivity of the molecule and its physical properties.

On the other hand, the "acrylic acid" part of the name indicates an acrylic acid moiety.The "acrylic" part of a name, on the other hand indicates a moiety of acrylic acid. Acrylic acid has a structure of CH2=CH - COOH, which is an unsaturated carboxylic acid.Acrylic acid is an unsaturated carboxylic with a structure CH2=CH-COOH. In this case, the acrylic acid is attached to the cyclohexene ring through the 3 - position of the acrylic acid chain.In this case, acrylic acid is attached to cyclohexene through the 3 – position of the chain. The double bond in the acrylic acid part has an E - configuration.The double bond of the acrylic acid portion has an E-configuration. In the E - configuration, the higher - priority groups are on opposite sides of the double bond.In the E-configuration, the higher-priority groups are on the opposite sides of double bond. Here, the cyclohexene - nitro group side and the carboxylic acid side are arranged in the E - geometry around the double bond of the acrylic acid part.The cyclohexene-nitro group side and carboxylic acid are arranged here in the E-geometry around the double bond of this acrylic acid part.

In summary, the (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid molecule combines a cyclohexene ring with a nitro substitution, and an acrylic acid chain attached to the cyclohexene ring, with a specific geometric configuration around the double bond of the acrylic acid part.The (2E)-3 - (5 - Nitrocyclohex-1 - Enyl)acrylic Acid molecule is composed of a cyclohexene chain with a substitution of nitro, and an attached acrylic acid chain, with a geometric configuration specific to the double bond in the acrylic acid portion. This unique structure imparts specific chemical and physical properties to the compound, which can be important in various chemical reactions and potential applications in fields such as organic synthesis, materials science, or pharmaceuticals depending on its reactivity and interactions with other molecules.This unique structure confers specific chemical and physicochemical properties to the compound. These properties can be important for various chemical reactions, and have potential applications in fields like organic synthesis, materials sciences, or pharmaceuticals, depending on its reactivity.

What are the main applications of (2E)-3-(5-nitrocyclohex-1-enyl)acrylic acid?

(2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid is a specific organic compound with potential applications in several areas.This specific organic compound has potential applications in many areas.
One of the main applications could be in the field of medicinal chemistry.One of the most important applications could be found in the field medicinal chemistry. Compounds with a similar structure often serve as starting materials for the synthesis of bioactive molecules.Compounds of similar structure are often used as starting materials to synthesize bioactive molecules. The nitro group and the unsaturated acrylic acid moiety in (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid can participate in various chemical reactions to introduce other functional groups.The nitro group in (2E)-3 - (5 - nitrocyclohex-1 - enyl - acrylic acid and the unsaturated moiety of the acrylic acid can be used in various chemical reactions that introduce other functional groups. These modified compounds might possess properties such as antibacterial, antifungal, or anti - inflammatory activities.These modified compounds may possess antibacterial, antifungal or anti-inflammatory properties. For example, the nitro group can be reduced to an amino group, which is a common functional group in many drugs.For example, nitro groups can be reduced into amino groups, which are common functional groups in many drugs. The resulting amine - containing derivatives could potentially interact with biological targets in the body, like enzymes or receptors, and be developed into novel therapeutic agents.The amine-containing derivatives that result could potentially interact with biological target in the body like enzymes or other receptors and be developed into new therapeutic agents.

In the area of materials science, this compound could be used in the synthesis of specialty polymers.This compound can be used to synthesize specialty polymers in the field of materials science. The unsaturated double bond in the acrylic acid part can undergo polymerization reactions.The unsaturated double bonds in the acrylic acid can undergo polymerization. By incorporating (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid into a polymer matrix, the resulting polymer might have unique properties.The resulting polymer may have unique properties if it incorporates (2E)-3 - (5 - nitrocyclohex-1 - enyl - acrylic acid into a matrix. The nitro - containing cyclohexenyl group can influence the physical and chemical properties of the polymer, such as its solubility, thermal stability, and mechanical strength.The cyclohexenyl - containing group can influence physical and chemical characteristics of the polymer such as its solubility and mechanical strength. For instance, it could lead to polymers with enhanced resistance to heat or better film - forming properties, which could be useful in applications like coatings for electronics or corrosion - resistant coatings for metals.It could, for example, lead to polymers that have improved heat resistance or better film-forming properties. These could be useful for applications such as coatings for electronic devices or corrosion-resistant coatings for metals.

It may also find use in organic synthesis as a versatile building block.It can also be used as a versatile building-block in organic synthesis. Chemists can use it to construct more complex organic molecules.It can be used by chemists to build more complex organic molecules. The specific arrangement of functional groups in (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid allows for a variety of synthetic transformations.The specific arrangement in (2E),-3-(5-nitrocyclohex-1-enyl)acrylic acids allows for a wide range of synthetic transformations. For example, the acrylic acid double bond can be used in Diels - Alder reactions, which are powerful methods for creating cyclic compounds.The double bond of the acrylic acid can be used to create cyclic compounds using Diels-Alder reactions. This could enable the synthesis of novel polycyclic organic compounds with potential applications in areas such as natural product synthesis or the development of new ligands for coordination chemistry.This could allow the synthesis of polycyclic organic molecules with potential applications such as the synthesis of natural products or the development new ligands in coordination chemistry. Overall, (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid has diverse potential applications across different scientific fields, mainly due to its unique combination of functional groups.The unique combination of functional groupings in (2E)-3 -(5-nitrocyclohex-1-enyl)acrylic has a wide range of potential applications.

What are the physical and chemical properties of (2E)-3-(5-nitrocyclohex-1-enyl)acrylic acid?

(2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid is an organic compound with certain physical and chemical properties.The organic compound (2E)-3(5-nitrocyclohex-1-enyl)acrylic is a compound with specific physical and chemical characteristics.
Physical properties:
1. Appearance: It is likely to be a solid at room temperature.Appearance It is likely to be solid at room temperature. Many organic acids with similar structures, especially those with relatively large molecular weights and containing aromatic or cyclic moieties, tend to exist as solids.Many organic acids, especially those containing aromatic or cycle moieties and having relatively large molecular masses, tend to be solids. The presence of the nitro group and the cyclic structure contributes to the relatively high intermolecular forces, which favors a solid state.The cyclic structure and the presence of the nitrogen group contribute to the relatively high forces between molecules, which favor a solid state.
2. Color: It may have a pale - colored appearance, perhaps yellowish, due to the presence of the nitro functional group.Color It may appear pale-colored, or even yellowish due to the presence nitro functional group. Nitro - containing compounds often exhibit some degree of color, with nitro - substituted aromatic and cyclic compounds commonly showing pale yellow to deep yellow hues.Nitro-containing compounds are often colored. Aromatic and cyclic compounds with nitro-substituted groups will usually have a pale yellow to deep-yellow hue.
3. Solubility: In terms of solubility, it is likely to be sparingly soluble in water.Solubility It is likely to be sparingly solubilized in water. The molecule contains a hydrophobic cyclohexene ring and a nitro group, both of which reduce its affinity for water.The molecule has a hydrophobic cyclohexene group and a nitrogroup, which both reduce its affinity for the water. However, it may show better solubility in organic solvents such as polar aprotic solvents like dimethylformamide (DMF), dimethyl sulfoxide (DMSO), and acetone.It may be more soluble in organic solvents, such as polar aprotic ones like dimethylformamide(DMF), dimethyl sulfoxide(DMSO), or acetone. The carboxylic acid group can form hydrogen bonds with these solvents, enhancing solubility.The carboxylic group can form hydrogen bond with these solvents to enhance solubility.

Chemical properties:
1. Acidity: The carboxylic acid group in (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid imparts acidic properties.Acidity The carboxylic group in (2E-3)-3-(5-nitrocyclohex-1-enyl)acrylic acids imparts acidic characteristics. It can donate a proton in the presence of a base.It can donate one proton when a base is present. The pKa value of the carboxylic acid group is influenced by the adjacent groups.The adjacent groups influence the pKa of the carboxylic group. The nitro group, being an electron - withdrawing group, will increase the acidity of the carboxylic acid.The nitro group will increase the acidity because it is an electron-withdrawing group. Through the inductive effect, the nitro group withdraws electron density from the carboxylate anion formed after deprotonation, stabilizing it and making it easier for the acid to lose a proton compared to a simple aliphatic carboxylic acid.The nitro group, through the inductive effect of the nitro group, withdraws electron density from carboxylate anion after deprotonation. This stabilizes it and makes it easier for the acid lose a proton than a simple carboxylic acid.
2. Reactivity of the double bond: The carbon - carbon double bond in the acrylic acid part of the molecule is reactive.The double bond in the acrylic part of the molecule, the carbon-carbon double bond, is reactive. It can undergo addition reactions.It can undergo addition reaction. For example, it can react with electrophiles in electrophilic addition reactions.It can, for example, react with electrophiles during electrophilic addition reaction. Bromine can add across the double bond to form a dibromo - derivative.Bromine can add across a double bond to produce a dibromo-derivative. Additionally, it can participate in polymerization reactions under appropriate conditions, similar to other acrylic acid derivatives, to form polymers.It can also participate in polymerization reactions, similar to other derivatives of acrylic acid, under the right conditions.
3. Reactivity of the nitro group: The nitro group is also reactive.Reactivity: The group nitro is also reactive. It can be reduced to an amino group under suitable reducing conditions, such as using reducing agents like iron and hydrochloric acid or catalytic hydrogenation with a metal catalyst like palladium on carbon.It can be reduced into an amino group using suitable reducing conditions. For example, iron and hydrochloric acids or catalytic hydrogenation using a metal catalyst such as palladium on the carbon. This reduction reaction can be used to modify the chemical properties of the molecule, for example, introducing an amino - containing functional group that can participate in further reactions like amide formation.This reduction reaction can be utilized to modify the chemical properties, such as introducing an amino-containing functional group, which can then participate in other reactions, like amide formation.

How is (2E)-3-(5-nitrocyclohex-1-enyl)acrylic acid synthesized?

The synthesis of (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid can potentially be achieved through the following general approach.The following general approach can be used to achieve the synthesis of (2E-3)-(5-nitrocyclohex-1-enyl)acrylic acids.
1. Starting materials selectionSelecting the right materials to start with
Typically, a cyclohexene derivative with an appropriate nitro group and a suitable acrylic acid precursor are required.A cyclohexene derivate with an appropriate nitrogroup and a suitable precursor acrylic acid are typically required. A common starting point could be a nitro - substituted cyclohexene compound.A nitro-substituted cyclohexene is a common starting point. For example, 5 - nitrocyclohex - 1 - ene can be used as the cyclohexene moiety.As an example, the cyclohexene molecule can be 5 -nitrocyclohex-1 -ene. For the acrylic acid part, a compound that can be functionalized to form the acrylic acid group is needed.To make the acrylic acid, you need a compound which can be functionalized into the acrylic group.

2. Formation of the key carbon - carbon bondFormation of the carbon-carbon bond
One possible method is through a condensation reaction.A condensation reaction is one possible method. A Wittig - like reaction could be employed.A Wittig-like reaction could be used. First, the 5 - nitrocyclohex - 1 - ene can be reacted with a phosphonium ylide derived from an appropriate precursor.The 5 -nitrocyclohex-1 -ene can first be reacted to a phosphonium-ylide obtained from an appropriate precursor. The phosphonium ylide is usually prepared by reacting a phosphonium salt with a strong base.The phosphonium is ylide can be prepared by reacting the phosphonium with a strong acid. The phosphonium salt can be synthesized from a halide - containing compound related to the acrylic acid structure.The phosphonium ylide can be made from a compound containing halide and related to the structure of acrylic acid. For instance, if we consider a compound with a halide group adjacent to a carbonyl group that can be converted to an acrylic acid unit later.If we consider a compound that has a halide adjacent to a group of carbonyls, this can be converted into an acrylic acid unit.

The reaction between the 5 - nitrocyclohex - 1 - ene and the phosphonium ylide would lead to the formation of a double bond, connecting the cyclohexene and the acrylic acid - related carbon chain.The reaction between 5 -nitrocyclohex-1 -ene, and the phosphonium-ylide will lead to the formation a double-bond connecting the cyclohexene with the acrylic acid-related carbon chain. This reaction occurs through a [2 + 2] - like cycloaddition mechanism followed by elimination of the phosphine oxide by - product, generating the desired (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid backbone.This reaction is a [2 +2] -like cycloaddition followed by the elimination of the phosphine dioxide by-product, generating the desired backbone (2E)-3 -(5 nitrocyclohex 1 enyl)acrylic.

3. Functional group adjustment and purificationFunctional group purification and adjustment
After the formation of the carbon - carbon double bond, any remaining protecting groups (if used during the synthesis of the starting materials) need to be removed.After the formation of a carbon-carbon double bond, all remaining protecting groups must be removed (if they were used during the synthesis). For example, if there were protecting groups on the carbonyl or other functional groups involved in the synthesis of the acrylic acid precursor, they are deprotected under appropriate reaction conditions.If, for example, there were protecting groups on carbonyls or other functional groups that were involved in the synthesis the acrylic acid precursor, these groups are deprotected using the appropriate reaction conditions. This could involve hydrolysis under acidic or basic conditions depending on the nature of the protecting group.This could involve hydrolysis in acidic or basic conditions, depending on the nature and structure of the protecting groups.

The final product is then purified.Purification of the final product follows. Purification methods could include column chromatography, where the reaction mixture is passed through a column filled with an adsorbent material such as silica gel.Purification methods include column chromatography where the reaction mixture passes through a column of an adsorbent such as silica. The different components of the reaction mixture will interact with the silica gel to different extents, allowing for the separation of the desired (2E)-3-(5 - nitrocyclohex - 1 - enyl)acrylic acid from impurities.The silica gel will interact to varying degrees with the different components in the reaction mixture, allowing separation of the desired (2E-3)-(5-nitrocyclohex-1-enyl-acrylic acid. Recrystallization can also be used if the compound has suitable solubility properties in an appropriate solvent system, further purifying the product to obtain a high - purity sample of the target compound.Recrystallization is also possible if the compound exhibits suitable solubility in an appropriate solvent. This will allow for further purification of the product and a high-purity sample.

What are the safety precautions when handling (2E)-3-(5-nitrocyclohex-1-enyl)acrylic acid?

(2E)-3-(5 - nitrocyclohex-1-enyl)acrylic acid is a chemical compound that requires certain safety precautions during handling.
First, personal protective equipment is crucial.Personal protective equipment is essential. Wear appropriate protective clothing, such as a lab coat, to prevent contact of the chemical with your skin.Wear protective clothing such as a labcoat to prevent the chemical from coming into contact with your skin. Gloves made of materials resistant to this acid should be worn.Gloves resistant to this acid are recommended. Nitrile gloves are often a good choice as they provide a barrier against many chemicals.Nitrile gloves can be a good option as they are resistant to many chemicals. Additionally, safety goggles or a face shield must be used to protect your eyes from any potential splashes.Safety goggles or face shields must also be worn to protect your eyes against any potential splashes.

When handling in a laboratory setting, ensure good ventilation.Assure good ventilation when handling in a lab setting. Work in a fume hood if possible.If possible, work in a fume-hood. This helps to remove any vapors or dust that might be released during the handling process.This will help to remove any dust or vapors that may be released during handling. The fume hood will direct these potentially harmful substances away from your breathing zone, reducing the risk of inhalation.The fume hood directs these potentially harmful substances out of your breathing zone and reduces the risk of inhalation.

If there is any possibility of the compound being dispersed into the air as dust, a respirator with the appropriate filter should be worn.A respirator with the correct filter should be worn if there is a possibility that the compound will be dispersed in the air as dust. This is especially important if large quantities are being handled or if the compound is being ground, crushed, or otherwise manipulated in a way that could create dust particles.This is particularly important if you are handling large quantities or if you are grinding, crushing, or otherwise manipulating the compound in a manner that could produce dust particles.

Be careful during storage as well.Store the acid in a cool, dry place away from sources of heat and ignition. Store (2E)-3-(5 - nitrocyclohex-1-enyl)acrylic acid in a cool, dry place away from sources of heat and ignition. Keep it in a properly labeled container, clearly indicating its identity and any associated hazards.Keep it in a container that clearly indicates its identity and any hazards. This will prevent accidental misuse.This will prevent accidental misuse.

In case of skin contact, immediately rinse the affected area with plenty of water for at least 15 minutes.If skin contact occurs, rinse the affected area immediately with plenty of water and for at least 15 min. Remove any contaminated clothing.Remove any contaminated clothes. If the chemical gets into your eyes, flush them with copious amounts of water for an extended period and seek immediate medical attention.If the chemical gets in your eyes, flush with large amounts of water and seek immediate medical care. In the event of ingestion, do not induce vomiting unless instructed by a medical professional.If you have ingested the chemical, do not induce vomiting until a doctor has instructed you to. Instead, drink plenty of water and seek medical help right away.Drink plenty of water instead and seek medical attention immediately. If inhalation occurs, move to fresh air immediately and get medical assistance if breathing difficulties persist.If you inhale, get to fresh air as soon as possible. Seek medical help if the breathing problems persist.

These safety precautions help to minimize the risks associated with handling (2E)-3-(5 - nitrocyclohex-1-enyl)acrylic acid and ensure the well - being of those working with it.