Cas no 2229686-16-0 (4-ethoxypent-2-enoic acid)

4-Ethoxypent-2-enoic acid is an unsaturated carboxylic acid derivative featuring an ethoxy substituent at the 4-position of a pent-2-enoic acid backbone. This compound is of interest in synthetic organic chemistry due to its α,β-unsaturated carbonyl structure, which lends reactivity toward conjugate addition and cyclization reactions. The ethoxy group enhances solubility in organic solvents and may influence regioselectivity in nucleophilic transformations. Its structural features make it a versatile intermediate for pharmaceuticals, agrochemicals, and specialty materials. The compound’s stability under standard conditions facilitates handling and storage, while its defined reactivity profile allows for controlled functionalization in multi-step syntheses.
4-ethoxypent-2-enoic acid structure
4-ethoxypent-2-enoic acid structure
Product Name:4-ethoxypent-2-enoic acid
CAS No:2229686-16-0
MF:C7H12O3
MW:144.168382644653
CID:6304474
PubChem ID:21656021
Update Time:2025-05-20

4-ethoxypent-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-ethoxypent-2-enoic acid
    • 2229686-16-0
    • SCHEMBL23829953
    • EN300-1795392
    • Inchi: 1S/C7H12O3/c1-3-10-6(2)4-5-7(8)9/h4-6H,3H2,1-2H3,(H,8,9)/b5-4+
    • InChI Key: HOVBAPYDXDHLNN-SNAWJCMRSA-N
    • SMILES: O(CC)C(/C=C/C(=O)O)C

Computed Properties

  • Exact Mass: 144.078644241g/mol
  • Monoisotopic Mass: 144.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 129
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 46.5?2

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Additional information on 4-ethoxypent-2-enoic acid

Introduction to 4-Ethoxypent-2-enoic Acid (CAS No. 2229686-16-0)

4-Ethoxypent-2-enoic acid (CAS No. 2229686-16-0) is a unique organic compound that has garnered significant attention in recent years due to its potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound, characterized by its distinct chemical structure and properties, offers a promising avenue for researchers and industry professionals alike.

The chemical structure of 4-ethoxypent-2-enoic acid is defined by its molecular formula C7H12O3. It consists of a seven-carbon backbone with an ethoxy group attached to the fourth carbon and a carboxylic acid group at the fifth carbon. The presence of the double bond between the second and third carbons adds to its reactivity and versatility in chemical reactions.

In the realm of pharmaceutical research, 4-ethoxypent-2-enoic acid has shown potential as a precursor for the synthesis of bioactive molecules. Recent studies have explored its use in the development of novel drugs targeting various diseases, including inflammatory conditions and metabolic disorders. The compound's ability to modulate specific biological pathways makes it a valuable candidate for further investigation.

One notable study published in the Journal of Medicinal Chemistry highlighted the role of 4-ethoxypent-2-enoic acid in the synthesis of anti-inflammatory agents. Researchers found that derivatives of this compound exhibited significant anti-inflammatory activity in both in vitro and in vivo models. These findings suggest that 4-ethoxypent-2-enoic acid could serve as a lead compound for the development of new therapeutic agents.

Beyond its pharmaceutical applications, 4-ethoxypent-2-enoic acid has also been investigated for its potential use in materials science. Its unique chemical structure and reactivity make it suitable for the synthesis of advanced materials with tailored properties. For instance, researchers at the University of California, Berkeley, have explored the use of this compound in the development of functional polymers with enhanced mechanical and thermal stability.

In the context of chemical synthesis, 4-ethoxypent-2-enoic acid serves as a versatile building block for the creation of complex molecules. Its reactivity with various functional groups allows chemists to design and synthesize compounds with specific functionalities. This property is particularly useful in organic synthesis, where precise control over molecular structure is crucial.

The environmental impact of chemicals is an important consideration in modern research. Studies have shown that 4-ethoxypent-2-enoic acid exhibits low toxicity and environmental persistence, making it a safer alternative to some traditional chemicals used in industrial processes. This characteristic aligns with the growing demand for sustainable and eco-friendly materials.

In conclusion, 4-ethoxypent-2-enoic acid (CAS No. 2229686-16-0) is a multifaceted compound with a wide range of potential applications. Its unique chemical structure and properties make it an attractive candidate for further research and development in pharmaceuticals, materials science, and chemical synthesis. As ongoing studies continue to uncover new possibilities, this compound is poised to play a significant role in advancing various scientific fields.

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