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CS-W001157 4
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4-Bromo-1-(toluene-4-sulfonyl)-pyrrolidin-3-one

  • CAS No. 170456-82-3

  • Cat. No. CS-0341247
  • Molecule weight318.19
  • Purity≥97%
  • MDL No.None

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

4-Bromo-1-(toluene-4-sulfonyl)-pyrrolidin-3-one|CS-0341247

Structure of 170456-82-3

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General Information

  • CAS No. 170456-82-3
  • Cat. No. CS-0341247
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂BrNO₃S
  • Molecular Weight 318.19
  • Synonym(s) 4-Bromo-1-tosylpyrrolidin-3-one
  • SMILES CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=O)C2)Br

Synthesis

  • Route1
    • 4-Bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol|CS-0755080
      170456-84-5
    • ~64%
    • 4-Bromo-1-(toluene-4-sulfonyl)-pyrrolidin-3-one|CS-0341247
      170456-82-3

    References

    • WO2008/12010 A1, ; Page/Page column 66-67 ; WO 2008/012010 A1
  • Route2
    • 1-Tosylpyrrolidin-3-one|CS-0071176
      73696-28-3
    • ~%
    • 4-Bromo-1-(toluene-4-sulfonyl)-pyrrolidin-3-one|CS-0341247
      170456-82-3

    References

    • Heterocycles, , vol. 41, # 7 p. 1389 - 1398
  • Route3

    References

    • Heterocycles, , vol. 41, # 7 p. 1389 - 1398

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   54.45
  • LogP   1.33192
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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