Cas no 1048970-15-5 (Chroman-8-sulfonyl chloride)

Chroman-8-sulfonyl chloride is a versatile intermediate in organic synthesis, offering a reliable source of 8-sulfonyl functionality. Its high purity and stability ensure efficient transformations in chemical reactions, making it an essential tool for the synthesis of various compounds. The product's selectivity and ease of use make it a preferred choice in pharmaceutical and agrochemical industries.
Chroman-8-sulfonyl chloride structure
Chroman-8-sulfonyl chloride structure
Product Name:Chroman-8-sulfonyl chloride
CAS No:1048970-15-5
MF:C9H9ClO3S
MW:232.683960676193
MDL:MFCD12198124
CID:1146411
PubChem ID:45594303
Update Time:2025-10-31

Chroman-8-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • Chroman-8-sulfonyl chloride
    • CC76103
    • 3,4-dihydro-2H-1-benzopyran-8-sulfonyl chloride
    • SBB097997
    • AG-D-17847
    • chlorochroman-8-ylsulfone
    • CTK4A3453
    • chromane-8-sulfonyl chloride
    • 3,4-dihydro-2H-chromene-8-sulfonyl chloride
    • ICMATZNLBWDEAR-UHFFFAOYSA-N
    • chroman-8-sulfonylchloride
    • EN300-262990
    • DB-059219
    • 1048970-15-5
    • DTXSID80670705
    • G40999
    • SCHEMBL15300130
    • CS-0243373
    • AKOS006335493
    • Chroman-8-sulfonyl chloride , 97%
    • MDL: MFCD12198124
    • Inchi: 1S/C9H9ClO3S/c10-14(11,12)8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5H,2,4,6H2
    • InChI Key: ICMATZNLBWDEAR-UHFFFAOYSA-N
    • SMILES: ClS(C1=CC=CC2=C1OCCC2)(=O)=O

Computed Properties

  • Exact Mass: 231.99600
  • Monoisotopic Mass: 231.9960930g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 296
  • 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: 2.3
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 367.0±31.0 °C at 760 mmHg
  • Flash Point: 175.8±24.8 °C
  • PSA: 51.75000
  • LogP: 3.01990
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Chroman-8-sulfonyl chloride Security Information

Chroman-8-sulfonyl chloride Pricemore >>

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Chroman-8-sulfonyl chloride Related Literature

Additional information on Chroman-8-sulfonyl chloride

Professional Introduction to Chroman-8-sulfonyl chloride (CAS No. 1048970-15-5)

Chroman-8-sulfonyl chloride, identified by the Chemical Abstracts Service Number (CAS No.) 1048970-15-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the chroman class, a heterocyclic aromatic organic compound consisting of a benzene ring fused to a cyclohexane ring with an oxygen atom at the bridge position. The introduction of a sulfonyl chloride group at the 8-position of the chroman scaffold imparts unique reactivity and functional properties, making it a valuable intermediate in synthetic chemistry and drug development.

The structural features of Chroman-8-sulfonyl chloride make it particularly useful in the synthesis of various pharmacologically active molecules. The sulfonyl chloride functionality is known for its ability to participate in nucleophilic substitution reactions, allowing for the facile introduction of amine, alcohol, or other nucleophilic groups. This reactivity has been leveraged in the development of novel therapeutic agents, including kinase inhibitors, antiviral compounds, and anti-inflammatory drugs. The chroman core itself is a privileged scaffold in medicinal chemistry, with derivatives exhibiting diverse biological activities ranging from antioxidant to anticancer properties.

In recent years, there has been growing interest in exploring the potential of chroman derivatives as scaffolds for drug discovery. Studies have demonstrated that modifications at the 8-position of the chroman ring can significantly influence the pharmacokinetic and pharmacodynamic profiles of derived compounds. For instance, research published in high-impact journals such as *Journal of Medicinal Chemistry* and *Organic Letters* has highlighted the use of Chroman-8-sulfonyl chloride as a key intermediate in synthesizing small-molecule inhibitors targeting specific protein kinases involved in cancer progression. These inhibitors have shown promise in preclinical studies, demonstrating efficacy in modulating signaling pathways critical for tumor growth and survival.

The synthesis of Chroman-8-sulfonyl chloride typically involves multi-step organic transformations starting from commercially available chroman precursors. The introduction of the sulfonyl chloride group is often achieved through chlorosulfonation followed by purification steps to isolate the desired product. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making this compound more accessible for industrial applications. Researchers have also explored catalytic approaches to enhance yield and selectivity during its synthesis, further contributing to its utility in drug development pipelines.

One notable application of Chroman-8-sulfonyl chloride is in the field of peptidomimetics, where it serves as a building block for creating novel peptide analogs with improved stability and bioavailability. The sulfonyl chloride moiety allows for covalent attachment to amino acid residues or other biomolecules, facilitating the construction of complex molecular architectures. Such peptidomimetics have been investigated for their potential as enzyme inhibitors or receptor antagonists, offering new therapeutic strategies against various diseases.

Another emerging area where Chroman-8-sulfonyl chloride is making an impact is in materials science. The unique electronic and steric properties of this compound have been exploited in designing organic semiconductors and luminescent materials. Researchers are exploring its use in organic light-emitting diodes (OLEDs) and photovoltaic devices, where chroman derivatives contribute to enhanced charge transport and optical characteristics. These applications underscore the versatility of Chroman-8-sulfonyl chloride, extending beyond traditional pharmaceutical uses into cutting-edge technological innovations.

The chemical reactivity of Chroman-8-sulfonyl chloride also makes it a valuable tool in biochemical assays and proteomics research. Its ability to undergo selective reactions with nucleophiles allows for the labeling and detection of biomolecules such as proteins and peptides. This has been particularly useful in studying protein-protein interactions and enzyme mechanisms, providing insights into fundamental biological processes. Additionally, derivatization with fluorescent tags or other reporter groups attached via the sulfonyl chloride functionality enables real-time monitoring of biological pathways using advanced imaging techniques.

In conclusion, Chroman-8-sulfonyl chloride (CAS No. 1048970-15-5) represents a versatile and highly functional compound with broad applications across multiple scientific disciplines. Its role as an intermediate in pharmaceutical synthesis, its utility in materials science, and its contributions to biochemical research highlight its importance in modern chemistry and biology. As research continues to uncover new possibilities for this compound, its significance is expected to grow further, driving innovation in drug discovery and material development.

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