Cas no 34654-19-8 (1,4-Dithiepan-6-one)

1,4-Dithiepan-6-one is a sulfur-containing heterocyclic compound characterized by a seven-membered ring structure incorporating two sulfur atoms and a ketone functional group. Its unique molecular architecture makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The compound's reactivity, influenced by the presence of sulfur and the carbonyl group, allows for versatile transformations, including nucleophilic additions and cyclization reactions. Its stability under controlled conditions and compatibility with various reaction media further enhance its utility in synthetic applications. Researchers value 1,4-Dithiepan-6-one for its potential in constructing complex molecular frameworks with high selectivity.
1,4-Dithiepan-6-one structure
1,4-Dithiepan-6-one structure
Product Name:1,4-Dithiepan-6-one
CAS No:34654-19-8
MF:C5H8OS2
MW:148.246418952942
CID:919397
PubChem ID:329776452
Update Time:2025-05-22

1,4-Dithiepan-6-one Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dithiepan-6-one
    • 1,4-dithiacycloheptan-6-one
    • 1,4-dithia-6-cycloheptanone
    • DTXSID10484357
    • BS-37696
    • SCHEMBL7934241
    • 1,4-Dithiepan-6-one, AldrichCPR
    • CHEMBRDG-BB 4004797
    • EN300-7252102
    • AKOS006280525
    • [1,4]dithiepan-6-one
    • MFCD08059773
    • CS-0259160
    • 34654-19-8
    • MDL: MFCD08059773
    • Inchi: 1S/C5H8OS2/c6-5-3-7-1-2-8-4-5/h1-4H2
    • InChI Key: KIOFHPFBUIVDOK-UHFFFAOYSA-N
    • SMILES: S1CC(CSCC1)=O

Computed Properties

  • Exact Mass: 148.00200
  • Monoisotopic Mass: 148.00165722g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 82.4
  • 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: 1.2
  • Topological Polar Surface Area: 67.7?2

Experimental Properties

  • Density: 1.239
  • Boiling Point: 251.6°C at 760 mmHg
  • Flash Point: 110.7°C
  • Refractive Index: 1.574
  • PSA: 67.67000
  • LogP: 1.03550

1,4-Dithiepan-6-one Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

1,4-Dithiepan-6-one Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 1,4-Dithiepan-6-one

1,4-Dithiepan-6-one (CAS No: 34654-19-8) - A Comprehensive Overview

1,4-Dithiepan-6-one, also known by its CAS number 34654-19-8, is a unique organic compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound belongs to the class of dithiepane derivatives, which are known for their versatile chemical properties and potential applications in various industries. The compound's structure consists of a six-membered ring with two sulfur atoms and a ketone group, making it a valuable building block for synthesizing advanced materials and pharmaceuticals.

The synthesis of 1,4-Dithiepan-6-one involves a series of carefully designed chemical reactions that leverage the reactivity of sulfur-containing compounds. Recent advancements in synthetic methodologies have enabled researchers to achieve higher yields and better purity levels, making this compound more accessible for large-scale applications. The compound's reactivity is primarily influenced by the electron-withdrawing effect of the ketone group, which enhances its ability to participate in nucleophilic attacks and other key organic reactions.

One of the most promising applications of 1,4-Dithiepan-6-one lies in its use as a precursor for synthesizing advanced materials. For instance, researchers have successfully utilized this compound to develop novel polymers with enhanced thermal stability and mechanical properties. These polymers have potential applications in aerospace engineering, where materials must withstand extreme temperatures and environmental conditions. Additionally, the compound has shown potential in drug delivery systems due to its ability to form stable complexes with bioactive molecules.

Recent studies have also explored the use of 1,4-Dithiepan-6-one in the field of catalysis. The compound's sulfur atoms provide a unique environment for catalytic reactions, particularly in the realm of organocatalysis. Scientists have reported that this compound can act as an efficient catalyst for enantioselective reactions, which are crucial for producing chiral pharmaceuticals. This discovery has opened new avenues for green chemistry practices, where the focus is on minimizing waste and using renewable resources.

In terms of spectroscopic analysis, 1,4-Dithiepan-6-one exhibits distinct absorption bands in both UV-vis and IR spectra due to its conjugated system and sulfur-containing functional groups. These spectral characteristics make it an ideal candidate for use in sensors and diagnostic tools. For example, researchers have developed sensors based on this compound that can detect trace amounts of heavy metals in water samples with high accuracy.

The stability of 1,4-Dithiepan-6-one under various conditions has also been extensively studied. It has been found that the compound is relatively stable under normal storage conditions but can undergo decomposition under harsh acidic or basic environments. This information is critical for ensuring safe handling and storage practices in industrial settings.

In conclusion, 1,4-Dithiepan-6-one (CAS No: 34654-19-8) is a multifaceted compound with a wide range of applications across different scientific disciplines. Its unique chemical properties and versatility make it an invaluable tool for researchers and industry professionals alike. As ongoing research continues to uncover new uses and improvements in synthesis techniques, this compound is poised to play an even more significant role in shaping future technological advancements.

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