Cas no 921938-87-6 ((4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate)

(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate is a versatile sulfonate ester with applications in organic synthesis and pharmaceutical intermediates. Its key advantages include a stable tetrahydropyranyl backbone, which enhances structural rigidity, and the reactive toluenesulfonate group, facilitating nucleophilic substitution reactions. The thienyl moiety introduces potential for further functionalization, making it valuable in heterocyclic chemistry. This compound is particularly useful in the preparation of complex molecules due to its balanced reactivity and selectivity. Its well-defined structure ensures consistent performance in synthetic routes, while its stability under standard conditions allows for convenient handling and storage. Suitable for research and industrial applications, it serves as a reliable building block in medicinal and materials chemistry.
(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate structure
921938-87-6 structure
Product Name:(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate
CAS No:921938-87-6
MF:C17H20O4S2
MW:352.468302726746
MDL:MFCD09879933
CID:1005309
PubChem ID:24229670
Update Time:2025-10-21

(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate Chemical and Physical Properties

Names and Identifiers

    • (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate
    • (4-Thien-2-yltetrahydro-2H-pyran-4-yl)methyl 4-methylphenylsulphonate
    • (4-Thien-2-yltetrahydro-2H-pyran-4-yl)methyl 4-methylphenylsulphonate 97
    • (4-thiophen-2-yloxan-4-yl)methyl 4-methylbenzenesulfonate
    • MFCD09879933
    • FT-0757770
    • (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate,97%
    • 921938-87-6
    • [4-(Thiophen-2-yl)oxan-4-yl]methyl 4-methylbenzene-1-sulfonate
    • DTXSID10640375
    • MS-22597
    • DB-079257
    • MDL： MFCD09879933
    • Inchi： 1S/C17H20O4S2/c1-14-4-6-15(7-5-14)23(18,19)21-13-17(8-10-20-11-9-17)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3
    • InChI Key： OZWQPINOYPXHPX-UHFFFAOYSA-N
    • SMILES： S1C=CC=C1C1(COS(C2C=CC(C)=CC=2)(=O)=O)CCOCC1

Computed Properties

  • Exact Mass: 352.08000
  • Monoisotopic Mass: 352.08030146g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 471
  • 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: 3.4
  • Topological Polar Surface Area: 89.2?2

Experimental Properties

  • Density: 1.261
  • Melting Point: 103.5-105°C
  • Boiling Point: 505.1°C at 760 mmHg
  • Flash Point: 259.2°C
  • Refractive Index: 1.574
  • PSA: 89.22000
  • LogP: 4.59100

(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB222819-1 g
(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate, 95%; .
 921938-87-6 95%
1 g
 €275.70 2023-07-20
abcr
AB222819-1g
(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate, 95%; .
 921938-87-6 95%
1g
 €292.00 2025-04-15
A2B Chem LLC
AI61699-1g
(4-thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate
 921938-87-6
1g
 $687.00 2024-07-18

(4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate Related Literature

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Additional information on (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate

Research Briefing on (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate (CAS: 921938-87-6)

In recent years, the compound (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate (CAS: 921938-87-6) has garnered significant attention in the field of chemical biology and pharmaceutical research. This sulfonate derivative, characterized by its unique tetrahydropyran and thiophene moieties, has shown promising potential as a key intermediate in the synthesis of bioactive molecules. The compound's structural features make it a valuable candidate for further exploration in drug discovery and development.

Recent studies have focused on the synthesis and applications of (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate. A 2023 publication in the Journal of Medicinal Chemistry detailed a novel synthetic route for this compound, highlighting its efficiency and scalability. The researchers employed a multi-step process involving the functionalization of tetrahydropyran followed by sulfonation, achieving a high yield of 78%. This advancement addresses previous challenges in the synthesis of similar sulfonate derivatives, paving the way for broader applications in medicinal chemistry.

In addition to its synthetic utility, (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate has been investigated for its biological activity. A 2024 study published in Bioorganic & Medicinal Chemistry Letters explored its role as a potential inhibitor of protein-protein interactions (PPIs) involved in inflammatory pathways. The compound demonstrated moderate inhibitory activity against the NF-κB pathway, suggesting its potential as a lead compound for anti-inflammatory drug development. Further optimization of its structure could enhance its potency and selectivity.

The pharmacokinetic properties of (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate have also been a subject of interest. A recent preclinical study evaluated its stability, solubility, and metabolic profile, revealing favorable characteristics for oral administration. The compound exhibited good solubility in aqueous solutions and demonstrated stability under physiological conditions, making it a viable candidate for further in vivo studies.

Looking ahead, researchers are exploring the potential of (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate in targeted drug delivery systems. Preliminary data from a 2024 study suggest that the compound's sulfonate group can be functionalized to conjugate with nanoparticles, enabling site-specific drug release. This approach could enhance the therapeutic efficacy while minimizing off-target effects, particularly in oncology applications.

In conclusion, (4-Thien-2-yltetrahydropyran-4-yl)methyl toluene-4-sulfonate (CAS: 921938-87-6) represents a versatile and promising compound in chemical biology and pharmaceutical research. Its synthetic accessibility, biological activity, and favorable pharmacokinetic properties position it as a valuable tool for drug discovery. Future studies should focus on optimizing its structure for enhanced bioactivity and exploring its applications in targeted therapies.

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