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3-Methyl-1-(toluene-4-sulfonyl)-piperazine

  • CAS No. 178624-90-3

  • Cat. No. CS-0208896
  • Purity≥96%
  • MDL No.MFCD06795933

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

3-Methyl-1-(toluene-4-sulfonyl)-piperazine|CS-0208896

Structure of 178624-90-3

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General Information

  • CAS No. 178624-90-3
  • Cat. No. CS-0208896
  • Purity ≥96%
  • MDL No. MFCD06795933
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈N₂O₂S
  • Molecular Weight 254.35
  • Synonym(s) (3S)-3-methyl-1-[(4-methylbenzene)sulfonyl]piperazine
  • SMILES O=S(N1CC(C)NCC1)(C2=CC=C(C)C=C2)=O

Synthesis

  • Route1

    References

    • Bolos, Jordi; Gubert, Santiago; Anglada, Lluis; Planas, Josep M.; Burgarolas, Carme; Castello, Josep M.; Sacristan, Aurelio; Ortiz, Jose A. Journal of Medicinal Chemistry, 1996 , vol. 39, # 15 p. 2962 - 2970
  • Route2
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    • 3-Methyl-1-(toluene-4-sulfonyl)-piperazine|CS-0208896
      178624-90-3

    References

    • Kiguchi, Toshiko; Tajiri, Kazumi; Ninomiya, Ichiya; Naito, Takeaki Tetrahedron, 2000 , vol. 56, # 32 p. 5819 - 5833
  • Route3

    References

    • Armstrong, Alan; Pullin, Robert D. C.; Jenner, Chloe R.; Foo, Klement; White, Andrew J. P.; Scutt, James N. Tetrahedron Asymmetry, 2014 , vol. 25, # 1 p. 74 - 86

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.41
  • LogP   0.97742
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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