Cas no 24410-84-2 (Ethyl (2E)-Pent-2-enoate)

Ethyl (2E)-pent-2-enoate is an unsaturated ester with the molecular formula C?H??O?, characterized by its (2E)-pent-2-enoate structure. This compound is notable for its role as a flavor and fragrance intermediate, imparting fruity, apple-like notes. Its α,β-unsaturated ester functionality makes it a versatile building block in organic synthesis, particularly for Michael additions and conjugate reduction reactions. The compound exhibits moderate volatility and stability under standard conditions, ensuring ease of handling in laboratory and industrial applications. Its defined stereochemistry (E-configuration) enhances selectivity in synthetic pathways, making it valuable for producing fine chemicals and aroma compounds. Suitable for use under inert atmospheres to prevent polymerization.
Ethyl (2E)-Pent-2-enoate structure
Ethyl (2E)-Pent-2-enoate structure
Product Name:Ethyl (2E)-Pent-2-enoate
CAS No:24410-84-2
MF:C7H12O2
MW:128.168982505798
CID:279313
PubChem ID:5367761
Update Time:2025-05-19

Ethyl (2E)-Pent-2-enoate Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenoic acid, ethylester, (2E)-
    • (E)-2-Pentenoic acid ethyl ester
    • ETHYL (2E)-PENT-2-ENOATE, TECH
    • ethyl-(2E)-pent-2-enoate
    • Ethyl trans-pent-2-enoate 99%
    • ethyl (E)-pent-2-enoate
    • (E)-Ethyl pent-2-enoate
    • MFCD06204561
    • Ethyl trans-pent-2-enoate
    • (2E)-2-Pentenoic acid ethyl ester
    • 24410-84-2
    • Ethyl(E)-2-pentenoate
    • (Z)-2-Pentenoic acid ethyl ester
    • 27805-84-1
    • Ethyl 2-pentenoate
    • LS-12229
    • 2-Pentenoic acid, ethyl ester
    • AKOS006230266
    • Ethyl trans-2-pentenoate
    • Ethyl (E)-2-Pentenoate
    • ETHYL (2E)-PENT-2-ENOATE
    • SCHEMBL94678
    • CS-0361328
    • ALBB-032753
    • Ethyl (2E)-Pent-2-enoate
    • Inchi: 1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3/b6-5+
    • InChI Key: AGMKVZDPATUSMS-AATRIKPKSA-N
    • SMILES: O(C(/C=C/CC)=O)CC

Computed Properties

  • Exact Mass: 128.08376
  • Monoisotopic Mass: 128.08373
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • XLogP3: 1.7

Experimental Properties

  • Density: 0.907
  • Boiling Point: 149.3°Cat760mmHg
  • Flash Point: 45.4°C
  • PSA: 26.3

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Additional information on Ethyl (2E)-Pent-2-enoate

Ethyl (2E)-Pent-2-enoate (CAS No. 24410-84-2): A Comprehensive Overview in Modern Chemical and Pharmaceutical Research

Ethyl (2E)-Pent-2-enoate, chemically identified by the CAS number 24410-84-2, is a compound that has garnered significant attention in the realms of chemical synthesis and pharmaceutical applications. This ester, derived from pent-2-enoic acid, exhibits a unique structural configuration that makes it a versatile intermediate in organic chemistry. Its molecular formula, C7H12O2, underscores its role as a key player in the synthesis of more complex molecules, particularly in the development of bioactive compounds.

The compound's chemical structure, featuring a trans-alkene moiety, contributes to its reactivity and potential utility in various synthetic pathways. The ester group provides a site for further functionalization, making it a valuable building block in the pharmaceutical industry. Recent advancements in synthetic methodologies have highlighted the importance of such intermediates in the efficient production of active pharmaceutical ingredients (APIs).

In the context of modern pharmaceutical research, Ethyl (2E)-Pent-2-enoate has been explored for its potential applications in drug development. Its structural features suggest compatibility with various biological targets, making it a candidate for further investigation in medicinal chemistry. Studies have begun to unravel its pharmacological properties, revealing potential benefits in modulating biological pathways relevant to inflammation and pain management.

One of the most intriguing aspects of Ethyl (2E)-Pent-2-enoate is its role as a precursor in the synthesis of natural products and synthetic analogs. Researchers have leveraged its structural framework to develop novel compounds with enhanced pharmacological profiles. For instance, derivatives of this ester have shown promise in preclinical studies as potential treatments for neurological disorders, owing to their ability to interact with specific neurotransmitter systems.

The synthesis of Ethyl (2E)-Pent-2-enoate itself has seen significant improvements, particularly with the advent of greener chemistry principles. Catalytic processes and solvent-free reactions have been optimized to enhance yield and purity, reducing the environmental impact of its production. These advancements align with global efforts to promote sustainable chemical manufacturing practices.

Moreover, the compound's stability under various conditions makes it an attractive candidate for industrial applications. Its resistance to degradation ensures consistent quality in pharmaceutical formulations, which is crucial for maintaining efficacy and safety. This characteristic has been particularly noted in formulations intended for long-term use or specialized delivery systems.

Recent research has also delved into the spectroscopic and analytical aspects of Ethyl (2E)-Pent-2-enoate. High-resolution nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry have been employed to elucidate its molecular structure and dynamics. These techniques have provided valuable insights into how the compound behaves in different environments, aiding in the optimization of its synthetic routes and applications.

The pharmacokinetic properties of Ethyl (2E)-Pent-2-enoate are another area of active investigation. Studies have begun to explore how this compound is metabolized within biological systems, providing data on its bioavailability and potential side effects. Understanding these parameters is essential for developing safe and effective therapeutic agents.

In conclusion, Ethyl (2E)-Pent-2-enoate (CAS No. 24410-84-2) represents a fascinating compound with broad implications in chemical synthesis and pharmaceutical research. Its unique structural features, coupled with recent advancements in synthetic methodologies and pharmacological studies, position it as a promising candidate for future drug development. As research continues to uncover new applications and refine production techniques, this compound is poised to play an increasingly significant role in the chemical and pharmaceutical industries.

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