Cas no 62643-19-0 (oxepan-4-one)

Oxepan-4-one is a seven-membered cyclic ketone with the molecular formula C?H??O. This heterocyclic compound features an oxygen atom within its ring structure, making it a valuable intermediate in organic synthesis. Its strained ring system and reactive carbonyl group enable its use in ring-opening reactions, polymerizations, and the preparation of more complex heterocycles. Oxepan-4-one is particularly useful in pharmaceutical and materials chemistry due to its ability to serve as a precursor for bioactive molecules and specialty polymers. Its well-defined structure and reactivity profile make it a reliable building block for researchers developing novel compounds with tailored properties.
oxepan-4-one structure
oxepan-4-one structure
Product Name:oxepan-4-one
CAS No:62643-19-0
MF:C6H10O2
MW:114.142402172089
MDL:MFCD20484206
CID:436727
PubChem ID:642792
Update Time:2025-05-23

oxepan-4-one Chemical and Physical Properties

Names and Identifiers

    • 4-Oxepanone
    • oxepan-4-one
    • FT-0722797
    • AB76453
    • SY036485
    • 62643-19-0
    • EN300-85698
    • CTLGXFASUHKSGN-UHFFFAOYSA-N
    • SCHEMBL1120977
    • P12770
    • AKOS026729644
    • InChI=1/C6H10O2/c7-6-2-1-4-8-5-3-6/h1-5H
    • DTXSID80349060
    • AS-51482
    • CS-0037287
    • MFCD20484206
    • DTXCID40300132
    • DA-04269
    • MDL: MFCD20484206
    • Inchi: 1S/C6H10O2/c7-6-2-1-4-8-5-3-6/h1-5H2
    • InChI Key: CTLGXFASUHKSGN-UHFFFAOYSA-N
    • SMILES: O1CCC(CCC1)=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: 0
  • Complexity: 88.5
  • 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: -0.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

oxepan-4-one Pricemore >>

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Additional information on oxepan-4-one

4-Oxepanone: A Comprehensive Overview

4-Oxepanone (CAS No. 62643-19-0) is a cyclic ketone with the molecular formula C7H10O and a molecular weight of 106.16 g/mol. It belongs to the class of oxepanones, which are seven-membered ring compounds containing a ketone group. The compound is also known as oxepan-4-one, reflecting its structural composition. This compound has been studied for its unique chemical properties and potential applications in various fields, including organic synthesis and material science.

The structure of 4-Oxepanone consists of a seven-membered ring with one oxygen atom in the ketone group at position 4. This arrangement imparts the compound with interesting electronic properties, making it a valuable building block in organic chemistry. Recent studies have highlighted its role in the synthesis of complex molecules, particularly in the construction of bioactive compounds and advanced materials.

One of the most significant advancements in the study of 4-Oxepanone involves its use as an intermediate in the synthesis of pharmaceutical agents. Researchers have explored its potential in drug design, where it serves as a precursor for compounds with therapeutic applications. For instance, studies published in 2023 have demonstrated that derivatives of 4-Oxepanone exhibit promising anti-inflammatory and antioxidant activities, making them candidates for novel drug development.

In addition to its role in pharmaceuticals, 4-Oxepanone has found applications in polymer chemistry. Its cyclic structure and reactivity make it suitable for the synthesis of high-performance polymers, including those with enhanced thermal stability and mechanical properties. Recent research has focused on incorporating 4-Oxepanone into polymeric materials for use in aerospace and automotive industries.

The synthesis of 4-Oxepanone has also been optimized through innovative methods. Traditional approaches involved multi-step reactions, but recent advancements have introduced more efficient pathways. For example, a study published earlier this year reported a one-pot synthesis method using microwave-assisted techniques, significantly reducing reaction time and improving yield.

Furthermore, the environmental impact of 4-Oxepanone has been a topic of interest among researchers. Studies have shown that it can be biodegraded under specific conditions, making it a more sustainable option compared to other synthetic compounds. This aligns with current trends toward green chemistry and environmentally friendly chemical processes.

Another notable area of research is the use of 4-Oxepanone in catalytic processes. Its ability to act as a catalyst or co-catalyst in various reactions has been explored, particularly in asymmetric catalysis and enantioselective synthesis. These findings underscore its versatility and potential for industrial applications.

In conclusion, 4-Oxepanone (CAS No. 62643-19-0) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical properties, coupled with recent advancements in synthesis and application techniques, position it as an important molecule in contemporary chemical research. As ongoing studies continue to uncover new potentials for this compound, its role in advancing science and technology is expected to grow significantly.

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