Cas no 201225-41-4 (2-(ethyl carboxy)prop-2-enoic acid)

2-(Ethyl carboxy)prop-2-enoic acid is a versatile carboxylic acid derivative featuring both an ethyl ester and a reactive acrylate moiety. Its bifunctional structure enables applications in polymer chemistry, particularly as a monomer or crosslinking agent in acrylic-based systems. The compound exhibits favorable reactivity in free-radical polymerization, contributing to the formation of tailored polymeric materials with enhanced mechanical and chemical properties. The ethyl ester group improves solubility in organic solvents, facilitating processing in coatings, adhesives, and specialty resins. Its balanced hydrophilicity and reactivity make it suitable for controlled modifications in synthetic organic chemistry. The product is typically handled under standard laboratory conditions, with stability considerations for the acrylate functionality.
2-(ethyl carboxy)prop-2-enoic acid structure
201225-41-4 structure
Product Name:2-(ethyl carboxy)prop-2-enoic acid
CAS No:201225-41-4
MF:C6H7O4
MW:143.117382287979
CID:1392055
PubChem ID:18618597
Update Time:2025-05-20

2-(ethyl carboxy)prop-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid, methylene-, monoethyl ester
    • 2-ethoxycarbonylprop-2-enoate
    • 2-(ethyl carboxy)prop-2-enoic acid
    • 201225-41-4
    • DTXSID20595180
    • 2-(Ethoxycarbonyl)prop-2-enoate
    • Inchi: 1S/C6H8O4/c1-3-10-6(9)4(2)5(7)8/h2-3H2,1H3,(H,7,8)/p-1
    • InChI Key: UTZMNZXHLBRTCJ-UHFFFAOYSA-M
    • SMILES: O(C(C(=C)C(=O)[O-])=O)CC

Computed Properties

  • Exact Mass: 143.03441
  • Monoisotopic Mass: 143.03443370g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • PSA: 66.43

2-(ethyl carboxy)prop-2-enoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-258760-1.0g
2-(ethyl carboxy)prop-2-enoic acid
201225-41-4
1.0g
$0.0 2023-03-01
Enamine
EN300-258760-1g
2-(ethyl carboxy)prop-2-enoic acid
201225-41-4
1g
$0.0 2023-09-14

Additional information on 2-(ethyl carboxy)prop-2-enoic acid

Introduction to 2-(ethyl carboxy)prop-2-enoic acid (CAS No. 201225-41-4)

2-(ethyl carboxy)prop-2-enoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 201225-41-4, is a specialized organic compound that has garnered attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, featuring a unique structure with both carboxylic and enolic functional groups, presents intriguing possibilities for its applications in drug development and material science. The presence of an ethyl substituent on the prop-2-enoic backbone enhances its reactivity, making it a valuable intermediate in synthetic pathways.

The molecular structure of 2-(ethyl carboxy)prop-2-enoic acid consists of a prop-2-enoic acid moiety (also known as methyl vinyl ketone derivative) with an ethyl group attached to the α-carbon of the carboxylic acid. This configuration allows for diverse chemical transformations, including esterification, reduction, and condensation reactions, which are pivotal in constructing more complex molecular architectures. Such structural features make it a promising candidate for exploring novel synthetic methodologies and functional materials.

In recent years, there has been a surge in research focusing on bioactive compounds derived from simple yet versatile building blocks like 2-(ethyl carboxy)prop-2-enoic acid. The compound’s ability to participate in Michael additions, aldol reactions, and other carbon-carbon bond-forming processes has opened up new avenues for creating pharmacologically relevant molecules. For instance, derivatives of this compound have been investigated for their potential role in modulating enzyme activity and interacting with biological targets.

One of the most compelling aspects of 2-(ethyl carboxy)prop-2-enoic acid is its utility in the synthesis of chiral compounds. The prop-2-enoic moiety can be selectively functionalized to introduce stereocenters, which are crucial for developing enantiomerically pure drugs that exhibit enhanced therapeutic efficacy and reduced side effects. Recent advances in asymmetric synthesis have enabled researchers to harness this compound’s structural flexibility to produce high-value intermediates for APIs (Active Pharmaceutical Ingredients).

The pharmaceutical industry has shown particular interest in 2-(ethyl carboxy)prop-2-enoic acid due to its potential as a precursor for anti-inflammatory and anti-microbial agents. Studies have demonstrated that certain derivatives of this compound exhibit inhibitory effects on enzymes such as COX-2 and lipoxygenase, which are implicated in inflammatory pathways. Additionally, its enolic form can engage in hydrogen bonding interactions with biological targets, suggesting its suitability for designing small-molecule inhibitors.

Beyond pharmaceutical applications, 2-(ethyl carboxy)prop-2-enoic acid has found relevance in materials science. Its ability to undergo polymerization reactions makes it a candidate for developing novel polymers with tailored properties. For example, copolymerization with other monomers can yield materials with enhanced mechanical strength or biodegradability, which are desirable traits for medical implants and sustainable packaging solutions.

The synthesis of 2-(ethyl carboxy)prop-2-enoic acid itself is an area of active research. Modern synthetic strategies leverage catalytic methods to improve yield and selectivity while minimizing environmental impact. Transition metal-catalyzed cross-coupling reactions and photoredox catalysis have been particularly effective in constructing the desired framework efficiently. These advancements not only streamline the production process but also align with green chemistry principles by reducing waste and energy consumption.

As computational chemistry progresses, virtual screening techniques are being employed to identify novel derivatives of 2-(ethyl carboxy)prop-2-enoic acid with enhanced bioactivity. Molecular modeling studies predict that modifications to the ethyl substituent or introduction of additional functional groups could lead to compounds with improved pharmacokinetic profiles. Such computational approaches complement experimental efforts by providing rapid insights into structure-function relationships.

The regulatory landscape surrounding CAS No. 201225-41-4 ensures that its use adheres to stringent safety standards while fostering innovation. Manufacturers must navigate guidelines set forth by agencies such as the FDA and EMA when developing pharmaceuticals based on this compound. These regulations prioritize patient safety while encouraging the exploration of new therapeutic modalities.

In conclusion,CAS No. 201225-41-4, corresponding to 2-(ethyl carboxy)prop-2-enoic acid, represents a versatile chemical entity with broad applications across multiple industries. Its unique structural attributes make it an invaluable building block for drug discovery, material science, and synthetic chemistry. As research continues to uncover new possibilities derived from this compound,CAS No. 201225-41-4 is poised to remain at the forefront of scientific innovation.

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