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CS-W001157 4
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(S)-(5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate

  • CAS No. 51693-17-5

  • Cat. No. CS-0068961
  • Purity≥98%
  • MDL No.MFCD00274229

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

(S)-(5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate|CS-0068961

Structure of 51693-17-5

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General Information

  • CAS No. 51693-17-5
  • Cat. No. CS-0068961
  • Purity ≥98%
  • MDL No. MFCD00274229
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₄S
  • Molecular Weight 269.32
  • Synonym(s) [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
  • SMILES O=C1CC[C@@H](COS(C2=CC=C(C)C=C2)(=O)=O)N1

Synthesis

  • Route1
    • null|null
      98-59-9
    • In-stock
      (S)-(+)-5-Hydroxymethyl-2-pyrrolidinone|CS-B0366
      17342-08-4
    • ~96%
    • In-stock
      (S)-(5-oxopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate|CS-0068961
      51693-17-5

    References

    • Hjelmgaard, Thomas; Sotofte, Inger; Tanner, David Journal of Organic Chemistry, 2005 , vol. 70, # 14 p. 5688 - 5697
  • Route2

    References

    • Merrell Dow Pharmaceuticals Inc. Patent: US4621145 A1, 1986 ;
  • Route3

    References

    • Aupoix, Audrey; Bournaud, Chloee; Vo-Thanh, Giang European Journal of Organic Chemistry, 2011 , # 15 p. 2772 - 2776

Safety Information

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

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Computational Chemistry Data

  • TPSA   72.47
  • LogP   0.97892
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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