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Product Name | 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid |
Cas Number | 131125-08-3 |
Formula | C10H14O4 |
Molar Mass | 198.22 |
Property1 | Boiling Point: N/A |
Property2 | Melting Point: N/A |
Property3 | Density: N/A |
Property4 | Appearance: N/A |
Property5 | Solubility: N/A |
Property6 | Vapor Pressure: N/A |
Property7 | Flash Point: N/A |
Property8 | Refractive Index: N/A |
Property9 | Stability: Stable under recommended storage conditions |
Property10 | Storage Conditions: Store in a cool, dry place |
What is the chemical structure of 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid?
1. Spirocyclic Core StructureSpirocyclic core structureThe 1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl part forms the core of the molecule.The core of the molecule is the 1,4 – dioxaspiro[4.5]dec 7 – en 7 – yl. A spiro - compound is characterized by two rings that share a single common atom.A spiro-compound is defined by two rings sharing a common atom. In this case, the spiro[4.5] unit indicates that one ring has four non - spiro atoms and the other has five non - spiro atoms, along with the spiro atom in the middle.In this case, spiro[4.5] indicates that one ring contains four non-spiro-atoms while the other ring contains five non-spiro-atoms. The spiro-atom is located in the middle. The "1,4 - diox" part means that there are two oxygen atoms located at positions 1 and 4 of the spiro - fused ring system.The "1,4-diox" part indicates that there are two atoms of oxygen located at positions 1 & 4 of the spiro-fused ring system. The "dec" indicates that the combined ring system contains ten atoms in total.The "dec", indicates that there are ten atoms total in the combined ring structure. The "7 - en" part shows that there is a double bond at the 7th position of the spiro - ring structure.The "7-en" part indicates that there is a dual bond at the seventh position of the spiro-ring structure.
2. Acrylic Acid MoietyAcrylic Acid Moiety
Attached to the spiro - ring system is an acrylic acid group.The acrylic acid group is attached to the spiro-ring system. Acrylic acid has the general formula CH2=CH - COOH.Acrylic acid is a general formula CH2=CH-COOH. It consists of a vinyl group (CH2=CH -) and a carboxyl group (-COOH).It is composed of a vinyl group, (CH2=CH-), and a carboxyl (-COOH) group. The vinyl group is an unsaturated carbon - carbon double - bonded structure, which is a characteristic feature of many polymer - forming monomers.Vinyl group is an unsaturated double-bonded carbon-carbon structure. This is a feature of many monomers that form polymers. The carboxyl group is composed of a carbonyl group (C=O) and a hydroxyl group (-OH) attached to the same carbon atom.The carboxyl group consists of a carbonyl (C=O), and a hydroxyl (-OH), attached to the same carbon. It is a polar and reactive functional group, capable of participating in various chemical reactions such as esterification, amidation, etc.It is a polar, reactive functional group capable of participating in a variety of chemical reactions, such as amidation, esterification, etc.
3. Connectivity
The 3 - position of the acrylic acid is attached to the 7 - position of the 1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl ring system.This connection forms the complete structure of 3 – (1,4 – dioxaspiro[4.5]dec- 7- en- 7- yl)acrylic acid. This connection forms the complete structure of 3 - (1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acrylic acid.This connection completes the structure of 3 – (1,4 – dioxaspiro[4.5]dec 7 – en – 7 – yl)acrylic acids. The overall molecule combines the unique structural features of the spiro - cyclic ether ring and the reactive acrylic acid moiety.The overall molecule combines unique structural features from the spiro-cyclic ether ring with the reactive acrylic acid moiety. The spiro - cyclic part may contribute to the molecule's rigidity and conformational stability, while the acrylic acid part provides reactivity for polymerization reactions, for example, to form polymers with potentially interesting properties such as film - forming ability, adhesion, and chemical resistance.The spiro-cyclic part can contribute to the molecule’s rigidity and conformational stabilization, while the acrylic part provides reactivity to polymerization reactions. For example, polymers with interesting properties like film - formation ability, adhesion and chemical resistance. The double bond in the acrylic acid part can undergo addition reactions, and the carboxyl group can react with alcohols, amines, and other nucleophiles.The double bond of the acrylic acid can undergo addition reactions and the carboxyl can react with alcohols and amines. Overall, this combination of structural elements in 3 - (1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acrylic acid gives it a wide range of potential applications in organic synthesis, materials science, and polymer chemistry.This combination of structural elements gives 3 - (1.4 - dioxaspiro[4.5]dec- 7- en- 7- yl )acrylic acid a wide range potential applications in polymer chemistry, organic synthesis and materials science.
What are the applications of 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid?
3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid is a compound with potential applications in various fields.
In the field of materials science, it can be used in the synthesis of novel polymers.It can be used to synthesize novel polymers in the field of materials sciences. Its unique structure can impart special properties to the polymers.Its unique structure can confer special properties to polymers. For example, the spiro - cyclic structure might contribute to enhanced rigidity and stability of the polymer backbone.The spiro-cyclic structure, for example, could contribute to increased rigidity and stability in the polymer backbone. These polymers could find use in high - performance coatings.These polymers can be used in high-performance coatings. The acrylic acid moiety allows for polymerization through methods such as radical polymerization.The acrylic acid moiety allows polymerization by methods such as radical polmerization. The resulting coatings could have good adhesion to different substrates, like metals or plastics, and offer protection against corrosion, abrasion, and environmental factors.The coatings produced could adhere well to metals and plastics and provide protection against corrosion and abrasion.
In the area of pharmaceutical research, derivatives of this compound may possess biological activities.In the field of pharmaceutical research, derivatives may have biological activities. The complex structure could potentially interact with specific biological targets.The complex structure may interact with specific biological targets. For instance, it might act as a ligand for certain receptors in the body.It could, for example, act as a receptor ligand. By modifying the substituents around the spiro - cyclic and acrylic acid parts, chemists could develop compounds with anti - inflammatory, antibacterial, or antifungal properties.By changing the substituents in the spiro-cyclic and the acrylic acid parts, chemists can develop compounds that have anti-inflammatory, antibacterial or antifungal properties. Additionally, its structure could be exploited in drug delivery systems.Its structure could also be used in drug delivery systems. Polymers synthesized from this compound could be designed to encapsulate drugs and release them in a controlled manner, based on the pH or enzymatic environment of the target site.This compound can be used to synthesize polymers that encapsulate and release drugs in a controlled way, depending on the pH or enzyme environment of the target site.
In the realm of organic synthesis, 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid can serve as a valuable building block. It can participate in various chemical reactions, such as Diels - Alder reactions due to the presence of the double bond in the spiro - cyclic structure and the reactive acrylic acid group.It can be used in a variety of chemical reactions such as Diels-Alder reactions because it has a double bond in its spiro-cyclic structure. This allows for the construction of more complex organic molecules with well - defined structures.This allows the construction of complex organic molecules that have well-defined structures. These intermediate molecules could then be further transformed into a wide range of products, including natural product analogs or other bioactive compounds.These intermediate molecules can be further transformed into many products, such as natural product analogs and other bioactive compounds.
Furthermore, in the field of optical materials, polymers made from this compound could potentially exhibit interesting optical properties.Polymers made from the compound could also have interesting optical properties in the field. The spiro - cyclic unit might influence the refractive index and light - scattering characteristics of the material.The spiro-cyclic unit could influence the refractive index of the material and its light scattering characteristics. This could be useful in the development of optical lenses, waveguides, or other optical components where precise control of optical properties is required.This could be helpful in the development and manufacture of optical lenses, wavesguides, and other optical components that require precise control of their optical properties. Overall, 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid holds promise for diverse applications across multiple scientific disciplines.
What are the properties of 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid?
3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid is a complex organic compound with several notable properties.
Physical properties:Physical Properties
In terms of its physical state, it is likely to be a solid or semi - solid at room temperature depending on factors like purity and intermolecular forces.It is likely that it will be a semi-solid or solid at room temperatures depending on factors such as purity and intermolecular force. Its melting point would be determined by the strength of the forces holding the molecules together.The strength of the forces that hold the molecules together will determine its melting point. The presence of the spiro - cyclic structure and the acrylic acid moiety contribute to its overall molecular shape.The spiro-cyclic structure and acrylic acid moiety are responsible for its overall shape. The spiro - cyclic 1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl group imparts a certain degree of rigidity to the molecule, while the acrylic acid part provides some flexibility due to the double bond in the acrylic acid chain.The spiro-cyclic 1,4-dioxaspiro[4.5]dec-7-en-7-yl group gives the molecule a certain rigidity, while the acrylic acids part provides some flexibility because of the double bond within the acrylic acid chain.
Solubility:
The solubility of 3-(1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acrylic acid is influenced by its molecular structure.The molecular structure of 3-(1,4-dioxaspiro[4.5]dec- 7- en- 7-yl)acrylic acids influences its solubility. The polar carboxylic acid group in the acrylic acid part can form hydrogen bonds with polar solvents such as water, alcohols, and carboxylic acids.The polar carboxylic group in the acrylic part can form hydrogen bond with polar solvents like water, alcohols and carboxylics acids. However, the relatively large and non - polar spiro - cyclic part may limit its solubility in highly polar solvents.The relatively large non-polar spiro-cyclic part can limit its solubility with highly polar solvents. It is likely to have better solubility in organic solvents of intermediate polarity like ethyl acetate or dichloromethane.It is more likely to be soluble in organic solvents with intermediate polarity, such as ethyl-acetate or dichloromethane. These solvents can interact with both the polar and non - polar regions of the molecule through a combination of dipole - dipole interactions and van der Waals forces.These solvents can interact both with the polar and the non-polar regions of the molecules through a combination dipole-dipole interactions and Van der Waals forces.
Chemical reactivity:Chemical reactivity
The acrylic acid part of the molecule is highly reactive due to the presence of the carbon - carbon double bond.The double carbon-carbon bond in the acrylic acid part of a molecule makes it highly reactive. It can undergo addition reactions, such as polymerization.It can undergo polymerization and other addition reactions. Free - radical polymerization is a common reaction for acrylic acid derivatives, where the double bond breaks and monomers link together to form long - chain polymers.Free - radical polmerization is common for acrylic acid derivatives. The double bond breaks, and monomers combine to form long-chain polymers. This property makes 3-(1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acrylic acid potentially useful in the synthesis of polymers with unique properties.This property makes 3-(1,4-dioxaspiro[4.5]dec-7 - en-7 - yl - acrylic acid) potentially useful in the syntheses of polymers with unique characteristics. The spiro - cyclic part may also influence the reactivity of the acrylic acid group.The spiro-cyclic part can also influence the reactivity. For example, the steric hindrance around the spiro - center can affect the approach of reactants to the double bond, either enhancing or retarding the reaction rate depending on the nature of the reactant.The steric hindrance can, for example, affect the approach of reactants towards the double bond. This can either enhance or retard the reaction rate, depending on the nature and type of reactant.
The carboxylic acid group is also reactive.The carboxylic acid group also reacts. It can participate in acid - base reactions, reacting with bases to form salts.It can be used in acid-base reactions, forming salts by reacting with bases. It can also undergo esterification reactions with alcohols in the presence of an acid catalyst, producing esters.It can also undergo esterification with alcohols, in the presence an acid catalyst. These reactions can be used to modify the properties of the molecule, for example, changing its solubility or introducing new functional groups for specific applications.These reactions can be used for modifying the properties of a molecule, such as changing its solubility, or adding new functional groups to specific applications.
In summary, 3-(1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acrylic acid has a combination of physical and chemical properties that are determined by its unique molecular structure, making it a potentially interesting compound for various applications in organic synthesis and polymer chemistry.Summary: 3-(1,4-dioxaspiro[4.5]dec-7 - en-7 - yl - acrylic acid has a unique molecular composition that determines its physical and chemical properties. This makes it an interesting compound with potential applications in polymer chemistry and organic synthesis.
What is the synthesis method of 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid?
The synthesis of 3-(1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acrylic acid can potentially be achieved through a multi - step process.A multi-step process can be used to synthesize 3-(1,4-dioxaspiro[4.5]dec- 7- en- 7-yl)acrylic acids.
Step 1: Preparation of the spirocyclic precursorStep 1 : Preparation the spirocyclic precursor
1. Start with appropriate starting materials for constructing the 1,4 - dioxaspiro[4.5]dec - 7 - ene ring system.Start by assembling the 1,4-dioxaspiro[4.5]dec- 7-ene ring. For example, one could use a cyclohexanone derivative and a diol.You could, for example, use a cyclohexanone and a diol. React a cyclohexanone with a diol such as ethylene glycol in the presence of an acid catalyst, like p - toluenesulfonic acid.React a diol, such as ethyleneglycol, with a cyclohexanone in the presence an acid catalyst like p-toluenesulfonic. This reaction forms a cyclic acetal, which is an important intermediate in building the spiro - cyclic structure.This reaction produces a cyclic-acetal, an important intermediate for building the spiro-cyclic structure. The reaction is typically carried out under reflux in an organic solvent like toluene, which helps to remove the water generated during the reaction by azeotropic distillation.The reaction is usually carried out in a toluene-based organic solvent, which helps remove the water produced during the reaction through azeotropic distillation. This promotes the forward reaction and increases the yield of the cyclic acetal.This encourages the forward reaction, increasing the yield of cyclic acetal.
Step 2: Introduction of the unsaturated side - chain precursorStep 2 - Introduction of the unsaturated surface - chain precursor
2. Once the 1,4 - dioxaspiro[4.5]decane ring is formed, the next step is to introduce the side - chain that will eventually lead to the acrylic acid group. One possible approach is to use a Wittig - type reaction.A Wittig-type reaction is one possible method. First, convert the spirocyclic compound into an aldehyde derivative.The first step is to convert the spirocyclic compounds into an aldehyde. This can be achieved through oxidation of an appropriate alcohol group on the spiro - cyclic ring if present, or by other methods such as ozonolysis followed by reduction to an aldehyde.This can be done by oxidizing an alcohol group if it is present on the spiro-cyclic ring, or using other methods like ozonolysis and reduction to an aldehyde.
3. Prepare a phosphonium ylide corresponding to the acrylic acid side - chain.Prepare a phosphonium-ylide that corresponds to the side-chain of acrylic acid. For example, react triphenylphosphine with an appropriate alkyl halide that has the potential to form the acrylic acid side - chain after the Wittig reaction.React triphenylphosphine, for example, with an alkyl chloride that can form the side-chain of acrylic acid after the Wittig reactions. The alkyl halide could be a bromo - or chloro - derivative of a compound with a structure related to acrylic acid.The alkyl chloride could be a derivative of a compound that has a similar structure to acrylic acid. React the phosphonium ylide with the spiro - cyclic aldehyde in a suitable solvent like THF (tetrahydrofuran).React the phosphonium with the spiro-cyclic aldehyde using a suitable solvent such as THF (tetrahydrofuran). The Wittig reaction will result in the formation of a double - bond, connecting the spiro - cyclic ring to a side - chain with the basic structure of acrylic acid.The Wittig reactions will result in a double-bond connecting the spiro-cyclic ring with a side-chain of the basic structure of the acrylic acid.
Step 3: Finalization of the acrylic acid groupStep 3 - Finalization of the acrylic group
4. If the side - chain formed in the previous step does not have the complete acrylic acid functionality, further reactions may be needed.Further reactions may be required if the side-chain formed in the preceding step does not possess the full functionality of acrylic acid. For example, if a protected carboxylic acid group is present, de - protection is required.De-protection is needed, for example, if there is a protected carboxylic group. This can be achieved under appropriate conditions depending on the type of protecting group used.This can be done under the right conditions, depending on the type and amount of protecting group. If it is a tert - butyl ester protecting group, treatment with an acid such as trifluoroacetic acid can remove the protecting group, yielding the desired 3-(1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acrylic acid.If the protecting group is a tert-butyl ester, then treatment with an acid, such as trifluoroacetic, can remove it, resulting in the desired 3-(1,4-dioxaspiro[4.5]dec- 7-en-7-yl)acrylic.
5. After the synthesis, the product can be purified using techniques such as column chromatography, recrystallization, or preparative - scale HPLC (high - performance liquid chromatography) to obtain a pure sample of the target compound.Purification techniques like column chromatography (high-performance liquid chromatography), recrystallization or preparative-scale HPLC (high-performance liquid chromatography), can be used to obtain a pure product of the target compound.
What are the safety hazards of 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid?
3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid may pose several safety hazards.
First, in terms of health hazards, it may be irritating to the skin.It can irritate the skin. Contact with the skin can lead to redness, itching, and in more severe cases, skin damage.Contact with the skin may cause redness, itching and, in more severe cases skin damage. If it gets into contact with eyes, it can cause significant eye irritation, potentially leading to pain, watering, and even damage to the cornea, which could affect vision.It can cause severe eye irritation that could lead to pain, watering and even corneal damage. Inhalation of its vapors or dust might irritate the respiratory tract, causing coughing, shortness of breath, and potentially more serious respiratory problems over time, especially with repeated exposure.Inhaling its dust or vapors can cause irritation to the respiratory tract. This could lead to coughing, shortness in breath, and more serious respiratory problems with repeated exposure. Ingestion, although less likely in normal circumstances, could also be harmful, potentially leading to internal organ irritation and disruption of normal body functions.Ingestion is also harmful, even though it is less likely to occur in normal circumstances. It could cause internal organ irritation or disrupt normal body functions.
Secondly, from an environmental perspective, if it is released into the environment, it may have an impact on aquatic life.Second, from an ecological perspective, it could have an impact on aquatic animals if released into the environment. It could potentially contaminate water bodies, and even in small amounts, might be toxic to fish, aquatic invertebrates, and other organisms in the water ecosystem.It could potentially contaminate bodies of water and, even in small quantities, it might be toxic for fish, aquatic invertebrates and other organisms within the water ecosystem. This could disrupt the delicate balance of the aquatic environment, affecting the food chain and overall biodiversity.This could upset the delicate balance in the aquatic environment and affect the food chain as well as biodiversity. It may also be persistent in the environment to some extent, meaning it could remain in soil, water, or air for a certain period, continuing to pose risks.It could also be persistent, meaning that it could remain in soils, water or air for some time, continuing to pose a risk.
In addition, in a laboratory or industrial setting where it is handled, there could be fire and explosion hazards.It could also cause fires and explosions in an industrial or laboratory setting. If it is exposed to heat, open flames, or strong oxidizing agents, it may be flammable.It may be flammable if it is exposed heat, open flames or strong oxidizing agent. Its vapors can form explosive mixtures with air, increasing the risk of a violent explosion in the presence of an ignition source.Its vapors may form explosive mixtures when combined with air. This increases the risk of a violent blast in the presence an ignition source. Special precautions need to be taken during storage and handling to prevent such dangerous situations, like storing it in a cool, well - ventilated area away from potential ignition sources and incompatible substances.To avoid such dangerous situations, it is important to take special precautions during storage and handling. For example, store the acid in a well-ventilated, cool area, away from any potential ignition sources or incompatible substances. Overall, understanding these safety hazards is crucial for proper handling, storage, and use of 3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid to protect both human health and the environment.