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(2e)-3-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)acrylic Acid


Properties
Product Name (2E)-3-(1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acrylic acid
Cas Number 71083-53-9
Formula C10H14O4
Molar Mass 198.22 g/mol
Property 1 Appearance: Not specified
Property 2 Melting Point: Not specified
Property 3 Boiling Point: Not specified
Property 4 Density: Not specified
Property 5 Solubility: Not specified
Property 6 Refractive Index: Not specified
Property 7 Flash Point: Not specified
Property 8 Vapor Pressure: Not specified
Property 9 pH: Not specified
Property 10 Stability: Not specified
FAQ

What is the chemical structure of (2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid?

(2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid is a complex organic compound. Let's break down its chemical structure description step by step.Let's describe its chemical structure step by step.
First, consider the spiro - cyclic part.Consider the spiro-cyclic part first. The term "1,4 - Dioxaspiro[4.5]dec - 7 - en - 7 - yl" indicates a spiro - compound.The term "1,4- Dioxaspiro[4.5]dec- 7- en- 7- yl" indicates that it is a spiro- compound. A spiro - compound has a single atom common to two or more rings.A spiro-compound has a common atom between two or more rings. Here, the "1,4 - Dioxaspiro[4.5]dec" part means that there are two rings sharing a common atom.The "1,4- Dioxaspiro[4.5]dec", in this case, means that two rings share a single atom. The "1,4 - Diox" implies that there are two oxygen atoms in the structure, located at positions 1 and 4 within the ring system.The "1,4-Diox" indicates that there are two oxygen molecules in the structure. They are located at positions 1 & 4 within the ring. The "spiro[4.5]" tells us that one of the rings has 4 non - common atoms (excluding the spiro - atom) and the other has 5 non - common atoms.The "spiro[4.5]", tells us that the ring system has four non-common atoms (excluding spiro-atoms) and five non-common atoms. The "dec" indicates that the total number of carbon atoms in the ring system related to the spiro - structure is 10.The "dec", indicates that there are 10 carbon atoms total in the ring structure related to the spiro-structure. The "- 7 - en" part shows that there is a double bond at the 7th position in the ring system.The "- 7- en" indicates that a double bond is present at the 7th position of the ring system. And the "- 7 - yl" indicates that this entire spiro - ring system is acting as a substituent.The "- 7- yl", on the other hand, indicates that the entire spiro-ring system is acting in a substitute manner.

Next, look at the "acetyl" part.The "acetyl part" is next. The acetyl group has the formula - COCH3.The acetyl formula is COCH3. In this compound, the spiro - ring system is attached to the acetyl group, specifically at the 7 - yl position of the spiro - ring system.The spiro-ring system is attached at the 7-yl position to the acetyl groups in this compound.

Finally, consider the overall "acid" part.Consider the "acid" component. The compound is an acid, which means it has a carboxyl group (-COOH).The compound is acid because it has a carboxyl (-COOH) group. The 3 - position in the molecule is where the (1,4 - Dioxaspiro[4.5]dec - 7 - en - 7 - yl)acetyl group is attached, and the carboxyl group is also part of the main chain structure.The carboxyl group and the 1,4-dioxaspiro[4.5]dec-7-en-7-yl group are both attached to the 3 - position of the molecule. The "(2E)" indicates the configuration around a double bond.The "(2E)," indicates the configuration of a double bond. In the E - configuration, the higher - priority groups on each carbon of the double bond are on opposite sides of the double bond.In the E-configuration, the higher-priority groups on each carbon are on the opposite side of the double-bond.

In summary, the (2E)-3-((1,4 - Dioxaspiro[4.5]dec - 7 - en - 7 - yl)acetyl)acid has a spiro - ring system with two oxygen atoms in the rings, a double bond at a specific position in the ring, an acetyl group attached to the spiro - ring, and a carboxyl group on the main chain, with a specific E - configuration around a double bond in the molecule.The (2E)-3((1,4- Dioxaspiro[4.5]dec- 7- en- 7- yl )acetyl )acid is a spiro-ring system with oxygen atoms at specific positions, a double-bond at a certain position in the ring and an acetyl attached to the spiro-ring. It also has a carboxyl on the main chain with a specific E- configuration around the double-bond. This complex structure gives the compound unique chemical and physical properties that can be relevant in various fields such as organic synthesis, medicinal chemistry, and material science.This complex structure gives this compound unique chemical and physicochemical properties that are relevant to various fields, such as organic synthesis and medicinal chemistry.

What are the applications of (2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid?

(2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid likely has applications in several areas.
In the field of organic synthesis, it can serve as a valuable building block.It can be used as a building block in organic synthesis. Its unique spirocyclic structure and the presence of the acetyl and acid functional groups provide opportunities for creating more complex organic molecules.Its unique spirocyclic structural features and the presence both of acetyl groups and acid functional group provide opportunities to create more complex organic molecules. Chemists can utilize the reactivity of the acid group for esterification reactions, forming esters that may have different physical and chemical properties.Chemists are able to use the reactivity in the acid group to create esters with different chemical and physical properties. These esters could potentially be used in the production of flavors and fragrances, as many esters are known for their pleasant scents.These esters can be used to produce flavors and fragrances as many esters have pleasant scents.

The spirocyclic moiety in the molecule can contribute to the development of new pharmaceuticals.The spirocyclic molecule in the molecule may contribute to the development and production of new pharmaceuticals. Spiro compounds often exhibit interesting biological activities due to their distinct three - dimensional structures.Spiro compounds are often characterized by interesting biological activities because of their unique three-dimensional structure. This acid could be a starting material for the synthesis of drugs targeting specific biological pathways.This acid could serve as a starting material to synthesize drugs that target specific biological pathways. For example, it might be modified to interact with certain enzymes or receptors in the body.It could be modified to interact, for example, with certain enzymes and receptors within the body. By attaching different functional groups to the existing structure, researchers could potentially create compounds with anti - inflammatory, antibacterial, or other therapeutic properties.Researchers could create compounds with anti-inflammatory, antibacterial or other therapeutic properties by attaching functional groups to an existing structure.

In the materials science area, polymers can be synthesized using this acid.This acid can be used to synthesize polymers in the field of materials science. The acid group can participate in polymerization reactions, leading to the formation of polymers with unique properties.The acid group can be involved in polymerization reactions that lead to polymers with unique properties. These polymers could find applications in coatings.These polymers may be used in coatings. The spirocyclic units in the polymer backbone might enhance the mechanical properties, such as hardness and flexibility, of the coating.The spirocyclic polymer units could enhance the coating's mechanical properties such as flexibility and hardness. They could also improve the chemical resistance of the coating, making it suitable for protecting surfaces in various environments, like in the automotive or aerospace industries where coatings need to withstand harsh conditions.They could also increase the chemical resistance of a coating, making it more suitable for surfaces in different environments. For example, in the automotive and aerospace industries, where coatings must withstand harsh conditions.

Furthermore, in the field of agrochemicals, derivatives of this acid could potentially be developed into pesticides or plant growth regulators.In the field of agrochemicals derivatives of this acid may also be developed as pesticides or plant growth regulaters. The specific structure might allow for targeted interaction with pests or plant physiological processes.The specific structure could allow for a targeted interaction with plant physiological processes or pests. For instance, it could be designed to disrupt the life cycle of certain insects or promote specific stages of plant growth, helping to increase crop yields and protect plants from diseases.It could, for example, be designed to disrupt certain insect life cycles or promote specific stages in plant growth. This would increase crop yields and help protect plants from disease. Overall, (2E)-3-((1,4 - Dioxaspiro[4.5]dec-7 - en-7 - yl)acetyl)acid has diverse potential applications across multiple scientific and industrial fields.Overall, (2E-3)-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl-)acid is a versatile compound that can be used in a variety of scientific and industrial fields.

What are the physical and chemical properties of (2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid?

(2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid is likely a complex organic compound.
Physical properties:Physical Properties
Melting point: Without experimental data, it's difficult to precisely predict.It's hard to predict the melting point without experimental data. But considering its relatively large and complex structure with polar functional groups like the carboxylic acid and the spiro - cyclic ether moieties, it might have a moderately high melting point.It might have a moderately higher melting point due to its relatively complex and large structure, which includes polar functional groups such as the carboxylic acids and spiro-cyclic ether moieties. The intermolecular forces such as hydrogen bonding from the carboxylic acid group would contribute to holding the molecules together in a solid state at a certain temperature.Intermolecular forces, such as hydrogen bonds from the carboxylic group, would hold the molecules together at a certain temperatures.
Boiling point: Again, estimated values would place it at a relatively high boiling point due to the combined effects of hydrogen bonding, dipole - dipole interactions from the polar groups, and the large molecular mass.Boiling point: Estimated values place it at a high boiling point because of the combined effects from hydrogen bonding, the dipole-dipole interactions between the polar groups and the large molecule mass. The spiro - cyclic structure also adds to the overall stability of the molecule, requiring more energy to break the intermolecular forces and convert it to the gaseous state.The spiro-cyclic structure adds to the overall stability, and requires more energy to break intermolecular interactions and convert the molecule to gaseous form.
Solubility: In polar solvents such as water, its solubility could be somewhat limited.Solubility in polar solvents like water could be limited. While the carboxylic acid group can form hydrogen bonds with water, the large non - polar spiro - cyclic hydrocarbon part would act against solubility.The carboxylic acid can form hydrogen bond with water but the large non-polar spiro-cyclic hydrocarbon portion would act against its solubility. It would likely be more soluble in polar organic solvents like ethanol or acetone.It would be more soluble in organic solvents that are polar, like ethanol or Acetone. These solvents can interact with both the polar and non - polar regions of the molecule through hydrogen bonding and van der Waals forces respectively.These solvents can interact both with the polar and the non-polar regions of the molecules through hydrogen bonding or van der Waals force respectively.

Appearance: It is probably a solid at room temperature, given its molecular complexity and potential for intermolecular interactions.Appearance: Given its molecular complex and the potential for intermolecular interaction, it is likely to be a solid. Its color is likely white or off - white, as many organic acids with similar structures are.Its color will likely be white or off-white, as it is with many organic acids that have similar structures.

Chemical properties:Chemical properties
Acidity: The carboxylic acid group makes it acidic.Acidity: It is acidic because of the carboxylic acid group. It can donate a proton in an aqueous solution or in the presence of a base.It can donate a proton in an aqueous or base-containing solution. The pKa value of the carboxylic acid would be influenced by the adjacent spiro - cyclic structure.The spiro-cyclic structure adjacent to the carboxylic acid will influence the pKa value. The electron - withdrawing or donating effects of the spiro - cyclic group can either increase or decrease the acidity.The electron donating or withdrawing effects of the spiro-cyclic group can increase or decrease acidity. If the spiro - cyclic group is electron - withdrawing, it would stabilize the carboxylate anion formed after deprotonation, increasing the acidity.If the spiro-cyclic group is electron-donating, it would stabilize carboxylate anion after deprotonation and increase the acidity.
Reactivity towards esters: It can react with alcohols in the presence of a catalyst (such as sulfuric acid) to form esters.Reactivity towards esters. It can react with alcohols when a catalyst is present (such as sulfuric acids) to form esters. This is a common reaction for carboxylic acids.This is a reaction that occurs frequently with carboxylic acid. The reaction proceeds through a nucleophilic acyl substitution mechanism.The reaction proceeds via a nucleophilic substitution mechanism.
Reactivity towards reduction: The carbonyl group within the acetyl part attached to the spiro - cyclic ring and the double bond in the spiro - cyclic ring are potential sites for reduction.Reactivity toward reduction: The double bond and carbonyl group in the spiro-cyclic ring, as well as the acetyl group attached to it, are both potential sites for reduction. For example, with reducing agents like lithium aluminum hydride, the carbonyl group could be reduced to an alcohol.With reducing agents such as lithium aluminum hydride for example, the carbonyl could be reduced into an alcohol. The double bond could potentially be hydrogenated in the presence of a suitable catalyst like palladium on carbon.In the presence of a suitable catalyst, such as palladium on Carbon, it is possible to hydrogenate the double bond.
Reactivity in condensation reactions: The carboxylic acid can participate in condensation reactions with other compounds containing functional groups like amines to form amides.Reactivity in condensation reaction: The carboxylic acids can participate in condensation with other compounds that contain functional groups, such as amines, to form amides. This is another important class of reactions for carboxylic acids and is useful in the synthesis of various organic compounds.This is a useful class of reactions that carboxylic acid can use to synthesize various organic compounds.

How is (2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid synthesized?

The synthesis of (2E)-3-((1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acetyl)acid likely involves multiple steps.Multiple steps are likely involved in the synthesis of (2E-3)-3-((1,4-dioxaspiro[4.5]dec- 7- en- 7-yl)acetyl). Here is a possible general approach.Here is one possible general approach.
First, the synthesis of the 1,4 - dioxaspiro[4.5]dec - 7 - ene moiety might be achieved.The first step would be to synthesize the 1,4-dioxaspiro[4.5]dec-7-ene moiety. One could start with appropriate cyclohexane - or cyclopentane - based starting materials.You could start by using appropriate cyclohexane- or cyclopentane-based starting materials. For example, a cyclohexene derivative with suitable functional groups could be used.A cyclohexene with functional groups that are suitable could be used. If we consider a cyclohexene with two alcohol groups at appropriate positions, treatment with an appropriate diol - reactive reagent such as a di - halide in the presence of a base could lead to the formation of the spiro - cyclic 1,4 - dioxane ring.If we consider a 1,4-dioxane ring with two alcohol groups in appropriate positions, the formation of this ring could be achieved by treating the cyclohexene using a diol-reactive reagent.

Next, the introduction of the acetyl group onto the spiro - cyclic compound.The next step is to introduce the acetyl groups onto the spiro-cyclic compound. This could potentially be done through an acylation reaction.This could be achieved through an acylation. Using an acetylating agent like acetyl chloride or acetic anhydride in the presence of a catalyst such as a Lewis acid (e.g., aluminum chloride) or a base (e.g., pyridine), the acetyl group can be attached to the desired position on the spiro - cyclic ring.The acetyl group is attached to the desired location on the spiro-cyclic ring using an acetylating compound such as acetyl anhydride or acetyl chloride in the presence a Lewis acid, such as aluminum chloride, or a base, such pyridine.

Then, the formation of the (2E) - 3 - substituent with the acid functionality.Then, the formation the (2E)- 3 – substituent with acid functionality. This might involve a Wittig - like reaction or a Horner - Wadsworth - Emmons reaction.This could involve a Wittig-like reaction or a Horner-Wadsworth-Emmons reaction. For a Wittig reaction, one would need to prepare a phosphonium ylide from an appropriate phosphonium salt and a strong base.For a Wittig, you would need to make a phosphonium-ylide using a phosphonium-salt and a strong acid. The ylide would then react with a carbonyl - containing derivative of the previously synthesized spiro - acetyl compound.The ylide is then reacted with a carbonyl-containing derivative of the previously synthesized compound spiro-acetyl. The reaction conditions should be carefully controlled to ensure the formation of the (E) - isomer.To ensure the formation (E) – isomer, the reaction conditions must be carefully controlled. The carbonyl compound could be designed in such a way that after the reaction with the ylide, the resulting product has the acid functionality at the correct position.The carbonyl compound can be designed so that the resulting product, after reaction with the ylide has the acid functionality in the correct position.

After the key bond - forming steps, purification steps would be necessary.Purification steps are required after the bond - forming step. This could include techniques such as column chromatography, recrystallization, or distillation depending on the nature of the by - products and the desired compound.This could include techniques like column chromatography or recrystallization depending on the by-products and the desired compound. These purification steps are crucial to obtain the pure (2E)-3-((1,4 - dioxaspiro[4.5]dec - 7 - en - 7 - yl)acetyl)acid.Purification is crucial for obtaining pure (2E)-3((1,4-dioxaspiro[4.5]dec-7 - en-7 - yl -acetyl-)acid. Overall, the synthesis requires careful planning of reaction sequences, selection of appropriate starting materials, and precise control of reaction conditions to achieve the desired product.The synthesis is a complex process that requires careful planning, selection of appropriate materials, and control of reaction conditions.

What are the safety hazards of (2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid?

(2E)-3-((1,4-Dioxaspiro[4.5]dec-7-en-7-yl)acetyl)acid is a specific chemical compound. While detailed and comprehensive safety hazard information may require in - depth chemical research and data from reliable sources, we can make some general speculations based on its structural features and common knowledge of similar chemical groups.While comprehensive safety hazard data may require in-depth chemical research, we can make general speculations using its structural features and information from other chemical groups.
Firstly, in terms of health hazards, it may pose risks to the respiratory system.In terms of health risks, it can pose a risk to the respiratory system. Inhalation of its dust or vapor could potentially irritate the nasal passages, throat, and lungs.Inhaling its dust or vapor can potentially irritate nasal passages, the throat, and the lungs. This irritation might lead to coughing, shortness of breath, or in more severe cases, respiratory distress.This irritation can lead to coughing or shortness of breathe, and in more severe cases, respiratory distress. If it comes into contact with the skin, it may cause skin irritation.It can cause skin irritation if it comes in contact with the skin. The spiro - cyclic and acetyl - containing structure could potentially interact with the skin's proteins or lipids, disrupting the skin's normal function and resulting in redness, itching, or even chemical burns depending on the concentration and duration of exposure.The spiro-cyclic and acetyl-containing structure may interact with skin proteins or lipids and disrupt the normal function of the skin. This could result in redness, itchiness, or even chemical burning depending on the concentration or duration of exposure.

Eye contact is also a significant concern.Eye contact is another major concern. Even a small amount of the compound getting into the eyes can cause intense irritation, pain, and may potentially damage the cornea and other delicate eye tissues, which could have long - term impacts on vision.Even a small amount can cause severe irritation and pain and damage to the cornea and other delicate tissues of the eye. This could have long-term effects on vision.

Regarding ingestion, if accidentally swallowed, it could harm the digestive system.Ingestion can cause harm to the digestive system. It may cause irritation to the mouth, esophagus, stomach, and intestines.It can cause irritation in the mouth, esophagus and stomach. The chemical reactions in the acidic environment of the stomach could potentially break down the compound in unexpected ways, releasing substances that might be toxic to the body.The chemical reactions that occur in the acidic environment in the stomach may cause the compound to break down in unexpected ways. This could release substances that are toxic to the body. This could lead to symptoms such as nausea, vomiting, abdominal pain, and in severe cases, internal bleeding or organ damage.This could cause symptoms such as nausea and vomiting, abdominal pain, or even internal bleeding.

From an environmental perspective, if this compound is released into the environment, it may have an impact on aquatic life.If this compound is released in the environment, then it could have an impact on aquatic wildlife. The structure of the compound might be resistant to biodegradation in some cases, which could lead to its accumulation in water bodies.In some cases, the structure of the compound may be resistant to degradation, which could cause it to accumulate in water bodies. Aquatic organisms could be exposed to it through direct contact or ingestion, potentially affecting their growth, reproduction, and overall survival.Aquatic organisms may be exposed to the compound through direct contact or consumption, which could affect their growth, reproduction and overall survival. It may also interact with soil components if released on land, potentially affecting soil microorganisms and plant growth.If released on land, it may interact with soil components and affect soil microorganisms as well as plant growth. However, more research would be needed to accurately determine its environmental fate and toxicity.More research is needed to determine its environmental fate.