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CS-W001157 4
Total: USD 88.00

But-3-yn-2-yl 4-methylbenzenesulfonate

  • CAS No. 53487-52-8

  • Cat. No. CS-0158580
  • Purity≥98%
  • MDL No.MFCD00060095

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

But-3-yn-2-yl 4-methylbenzenesulfonate|CS-0158580

Structure of 53487-52-8

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General Information

  • CAS No. 53487-52-8
  • Cat. No. CS-0158580
  • Purity ≥98%
  • MDL No. MFCD00060095
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃S
  • Molecular Weight 224.28
  • Synonym(s) p-Toluenesulfonic Acid 1-Butyn-3-yl Ester
  • SMILES C#CC(C)OS(=O)(=O)C1=CC=C(C)C=C1

Synthesis

  • Route1
    • null|null
      98-59-9
    • null|null
      2028-63-9
    • ~96%
    • In-stock
      But-3-yn-2-yl 4-methylbenzenesulfonate|CS-0158580
      53487-52-8

    References

    • Lowchol Scientific, Inc. Patent: US5436273 A1, 1995 ;
  • Route2
    • null|null
      98-59-9
    • ~94%
    • In-stock
      But-3-yn-2-yl 4-methylbenzenesulfonate|CS-0158580
      53487-52-8

    References

    • UNIVERSITE DE MONTREAL Patent: EP636021 B1, 1998 ;
  • Route3
    • null|null
      107-19-7
    • null|null
      2028-63-9
    • ~92%
    • In-stock
      But-3-yn-2-yl 4-methylbenzenesulfonate|CS-0158580
      53487-52-8

    References

    • Aidhen; Braslau Synthetic Communications, 1994 , vol. 24, # 6 p. 789 - 797

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   43.37
  • LogP   1.72202
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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