Cas no 2845-83-2 (3-Penten-2-one,4-methoxy-)

3-Penten-2-one, 4-methoxy- is a versatile unsaturated ketone with a methoxy substituent, offering unique reactivity in organic synthesis. Its α,β-unsaturated carbonyl structure makes it a valuable intermediate for Michael additions, cyclizations, and other conjugate addition reactions. The methoxy group enhances electron density, influencing regioselectivity in nucleophilic attacks. This compound is particularly useful in the synthesis of fine chemicals, pharmaceuticals, and fragrances due to its ability to form complex cyclic and acyclic frameworks. Its stability under mild conditions and compatibility with various catalysts further broaden its applicability in research and industrial processes. The compound’s defined structure ensures reproducibility in synthetic pathways.
3-Penten-2-one,4-methoxy- structure
3-Penten-2-one,4-methoxy- structure
Product Name:3-Penten-2-one,4-methoxy-
CAS No:2845-83-2
MF:C6H10O2
MW:114.142402172089
MDL:MFCD27948740
CID:255082
PubChem ID:5369213
Update Time:2025-05-20

3-Penten-2-one,4-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 3-Penten-2-one,4-methoxy-
    • 4-Methoxypent-3-en-2-one
    • (3E)-4-methoxypent-3-en-2-one
    • (E)-4-Methoxy-pent-3-en-2-one
    • (E)-4-methoxypent-3-en-2-one
    • EINECS 220-641-1
    • 4-methoxy-3-penten-2-one
    • 2845-83-2
    • 3-Penten-2-one, 4-methoxy-
    • SCHEMBL12162394
    • (3E)-4-Methoxy-3-penten-2-one #
    • CDWAKLKSWYVUSL-GQCTYLIASA-N
    • MDL: MFCD27948740
    • Inchi: 1S/C6H10O2/c1-5(7)4-6(2)8-3/h4H,1-3H3/b6-4+
    • InChI Key: CDWAKLKSWYVUSL-GQCTYLIASA-N
    • SMILES: O(C)/C(/C)=C/C(C)=O

Computed Properties

  • Exact Mass: 114.0681
  • Monoisotopic Mass: 114.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 114
  • 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
  • XLogP3: 0.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 0.916
  • Boiling Point: 173 oC
  • Flash Point: 60 oC
  • PSA: 26.3

3-Penten-2-one,4-methoxy- Pricemore >>

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3-Penten-2-one,4-methoxy- Related Literature

Additional information on 3-Penten-2-one,4-methoxy-

3-Penten-2-one,4-methoxy- (CAS No. 2845-83-2): A Versatile Intermediate in Modern Chemical Biology and Medicinal Chemistry

3-Penten-2-one,4-methoxy-, identified by its Chemical Abstracts Service (CAS) number 2845-83-2, is a significant organic compound that has garnered considerable attention in the fields of chemical biology and medicinal chemistry. This molecule, characterized by its unique structural features, serves as a versatile intermediate in the synthesis of various pharmacologically active agents and functional materials. Its molecular structure, featuring a conjugated system of a ketone group and an oxygenated side chain, makes it particularly valuable for exploring novel chemical reactions and applications.

The compound belongs to the class of α,β-unsaturated carbonyl compounds, which are well-documented for their reactivity in multiple chemical transformations. The presence of both a ketone functionality and an electron-withdrawing methoxy group enhances its utility in synthetic pathways. These features facilitate diverse reactions such as Michael additions, aldol condensations, and enolate-mediated processes, making 3-Penten-2-one,4-methoxy- a cornerstone in the development of complex molecular architectures.

In recent years, the pharmaceutical industry has increasingly leveraged 3-Penten-2-one,4-methoxy- as a building block for drug discovery programs. Its structural motif is frequently incorporated into molecules targeting various therapeutic areas, including oncology, neurology, and anti-inflammatory treatments. The compound’s ability to undergo selective functionalization allows chemists to tailor its properties for specific biological activities. For instance, modifications at the double bond or the oxygenated side chain can yield derivatives with enhanced binding affinity or metabolic stability.

One of the most compelling aspects of 3-Penten-2-one,4-methoxy- is its role in synthesizing heterocyclic compounds, which are prevalent in many bioactive natural products and synthetic drugs. Researchers have demonstrated that this intermediate can be transformed into nitrogen-containing heterocycles through cyclization reactions or via transition-metal-catalyzed cross-coupling processes. Such transformations have led to the discovery of novel scaffolds with potential therapeutic benefits.

The academic community has also explored the mechanistic aspects of reactions involving 3-Penten-2-one,4-methoxy-. Advanced computational studies have provided insights into how its reactivity arises from the interplay between electronic and steric factors. These studies not only enhance our fundamental understanding of organic chemistry but also guide the design of more efficient synthetic strategies. For example, density functional theory (DFT) calculations have been instrumental in predicting optimal reaction conditions for maximizing yield and selectivity.

Moreover, 3-Penten-2-one,4-methoxy- has found applications beyond pharmaceuticals. In materials science, it serves as a precursor for polymers with unique optical and mechanical properties. Its incorporation into polymer backbones can impart functionalities such as fluorescence or biodegradability, making it valuable for developing advanced materials for biomedical applications.

The synthesis of 3-Penten-2-one,4-methoxy- itself is an area of active research. Recent advances in catalytic methods have enabled more sustainable routes to this compound compared to traditional approaches. For instance, biocatalytic processes using engineered enzymes have been reported to produce high-purity 3-Pentanone 4-methoxy-, (CAS No 2845 83 2) with minimal waste generation. Such innovations align with global efforts to promote green chemistry principles.

In conclusion,3-Pentanone 4-methoxy-, (CAS No 2845 83 2) stands as a pivotal compound in modern chemical research. Its versatility in synthetic applications and its relevance to cutting-edge developments in drug discovery underscore its importance. As methodologies continue to evolve,3-pentanone 4-methoxy, will undoubtedly remain at the forefront of innovation across multiple scientific disciplines.

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