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CS-W001157 4
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Oxetan-2-ylmethyl 4-methylbenzene-1-sulfonate

  • CAS No. 115845-51-7

  • Cat. No. CS-0048766
  • Purity≥96%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Oxetan-2-ylmethyl 4-methylbenzene-1-sulfonate|CS-0048766

Structure of 115845-51-7

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General Information

  • CAS No. 115845-51-7
  • Cat. No. CS-0048766
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₄S
  • Molecular Weight 242.29
  • Synonym(s) Oxetan-2-ylmethyl 4-methylbenzenesulfonate
  • SMILES CC1=CC=C(C=C1)S(=O)(=O)OCC1CCO1

Description

Oxetan-2-ylmethyl 4-methylbenzene-1-sulfonate is a bench-stable, moisture-tolerant sulfonate ester that enables efficient oxetane installation in synthetic sequences. This reagent integrates readily into nucleophilic substitution workflows, delivering high functional group compatibility and predictable reaction kinetics under standard conditions.

Application

Oxetan-2-ylmethyl 4-methylbenzene-1-sulfonate serves as a stable, bench-ready oxetane-containing building block for C–H functionalization and late-stage diversification. Its sulfonate leaving group enables efficient palladium-catalyzed coupling reactions, facilitating the installation of oxetane motifs into complex molecular architectures. The molecule exhibits good functional group tolerance and ease of purification, making it well-suited for medicinal chemistry campaigns requiring strained ether incorporation.

Synthesis

  • Route1
    • In-stock
      Oxetan-2-ylmethanol|CS-W019194
      61266-70-4
    • null|null
      98-59-9
    • ~73%
    • In-stock
      Oxetan-2-ylmethyl 4-methylbenzene-1-sulfonate|CS-0048766
      115845-51-7

    References

    • Fitton, Alan O.; Hill, John; Jane, David E.; Millar, Ross Synthesis, 1987 , # 12 p. 1140 - 1142

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.48922
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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