Cas no 56637-44-6 (1,3-Dithiane, 2-(4-methylphenyl)-)

1,3-Dithiane, 2-(4-methylphenyl)- is a sulfur-containing heterocyclic compound with a 1,3-dithiane core substituted at the 2-position by a 4-methylphenyl group. This structure confers stability and reactivity, making it a valuable intermediate in organic synthesis, particularly for carbonyl anion equivalents and protective group chemistry. The dithiane moiety enables masked carbonyl functionalities, allowing controlled transformations under mild conditions. Its robust framework ensures compatibility with a range of reagents, while the aromatic methyl group enhances solubility in organic solvents. This compound is useful in pharmaceuticals, agrochemicals, and materials science, offering precise control in complex molecular constructions.
1,3-Dithiane, 2-(4-methylphenyl)- structure
56637-44-6 structure
Product Name:1,3-Dithiane, 2-(4-methylphenyl)-
CAS No:56637-44-6
MF:C11H14S2
MW:210.358860492706
MDL:MFCD01729789
CID:348260
PubChem ID:4096585
Update Time:2025-06-15

1,3-Dithiane, 2-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dithiane, 2-(4-methylphenyl)-
    • 2-(4-methylphenyl)-1,3-dithiane
    • 2-(p-Tolyl)-1,3-dithiane
    • SCHEMBL9271980
    • AKOS024321219
    • CS-0453659
    • AL-182/11625003
    • MFCD01729789
    • m-Dithiane, 2-(p-tolyl)-
    • D95445
    • 56637-44-6
    • DTXSID90399273
    • JO52940000
    • NIOSH/JO5294000
    • 2-(p-Tolyl)-m-dithiane
    • T3887
    • MDL: MFCD01729789
    • Inchi: 1S/C11H14S2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h3-6,11H,2,7-8H2,1H3
    • InChI Key: BPAHUGKAEMGTSH-UHFFFAOYSA-N
    • SMILES: S1CCCSC1C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 210.05382
  • Monoisotopic Mass: 210.05369279g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 144
  • 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: 3.6
  • Topological Polar Surface Area: 50.6?2

Experimental Properties

  • PSA: 0

1,3-Dithiane, 2-(4-methylphenyl)- Pricemore >>

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Additional information on 1,3-Dithiane, 2-(4-methylphenyl)-

Comprehensive Overview of 1,3-Dithiane, 2-(4-methylphenyl)- (CAS No. 56637-44-6): Properties, Applications, and Innovations

1,3-Dithiane, 2-(4-methylphenyl)- (CAS No. 56637-44-6) is a sulfur-containing heterocyclic compound with significant relevance in organic synthesis and material science. This compound, often referred to as 2-(p-Tolyl)-1,3-dithiane, features a 1,3-dithiane ring system substituted with a 4-methylphenyl group at the 2-position. Its unique structure makes it a versatile intermediate in the synthesis of complex molecules, particularly in pharmaceuticals, agrochemicals, and advanced materials.

The growing interest in sulfur-containing compounds like 1,3-Dithiane derivatives stems from their ability to act as protective groups for carbonyl functionalities in organic reactions. Researchers and industries are increasingly exploring its applications in green chemistry and sustainable synthesis, aligning with global trends toward eco-friendly processes. Questions such as "How is 1,3-Dithiane used in asymmetric synthesis?" or "What are the industrial applications of 2-(4-methylphenyl)-1,3-dithiane?" highlight its importance in modern chemistry.

From a structural perspective, 1,3-Dithiane, 2-(4-methylphenyl)- exhibits remarkable stability due to the dithioacetal moiety, which resists hydrolysis under mild conditions. This property is exploited in multi-step synthetic routes, where temporary protection of reactive groups is essential. Recent studies have also investigated its role in catalysis and ligand design, particularly in transition-metal-catalyzed reactions, addressing search queries like "1,3-Dithiane as a ligand in catalysis".

In the pharmaceutical sector, CAS No. 56637-44-6 is valued for its potential in constructing chiral building blocks. Its derivatives are pivotal in developing bioactive molecules, including antiviral and anticancer agents. The compound’s compatibility with microwave-assisted synthesis and flow chemistry further enhances its appeal, as these methods reduce reaction times and improve yields—topics frequently searched by chemists optimizing laboratory workflows.

Material scientists are also leveraging 2-(4-methylphenyl)-1,3-dithiane to design functional polymers and organic semiconductors. Its incorporation into polymer backbones can impart unique electronic properties, making it relevant for optoelectronic devices and energy storage solutions. Searches like "1,3-Dithiane derivatives in OLEDs" reflect this emerging interest.

Analytical techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography are routinely employed to characterize 1,3-Dithiane, 2-(4-methylphenyl)-. These methods confirm its purity and structural integrity, critical for applications requiring high precision. Discussions on platforms like ResearchGate often highlight "Best practices for handling air-sensitive dithianes", underscoring the compound’s sensitivity to oxidation.

In summary, 1,3-Dithiane, 2-(4-methylphenyl)- (CAS No. 56637-44-6) bridges fundamental research and industrial innovation. Its adaptability in organic transformations, coupled with advancements in sustainable methodologies, ensures its continued prominence. As the scientific community addresses challenges like atom economy and waste reduction, this compound remains a focal point for future breakthroughs.

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