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CS-W001157 4
Total: USD 88.00

1,4,7-Tri(p-tolylsulfonyl)-1,4,7-triazacyclononane

  • CAS No. 52667-89-7

  • Cat. No. CS-M2633
  • Purity≥98%
  • MDL No.MFCD00184056

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

1,4,7-Tri(p-tolylsulfonyl)-1,4,7-triazacyclononane|CS-M2633

Structure of 52667-89-7

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General Information

  • CAS No. 52667-89-7
  • Cat. No. CS-M2633
  • Purity ≥98%
  • MDL No. MFCD00184056
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₇H₃₃N₃O₆S₃
  • Molecular Weight 591.76
  • Synonym(s) 1,4,7-Tris(4-toluenesulfonyl)-1,4,7-triazacyclononane; 1,4,7-Tris(p-toluenesulfonyl)-1,4,7-triazacyclononane; 1H-1,4,7-triazonine, octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-
  • SMILES CC1=CC=C(S(N2CCN(S(C3=CC=C(C)C=C3)(=O)=O)CCN(S(C4=CC=C(C)C=C4)(=O)=O)CC2)(=O)=O)C=C1

Synthesis

  • Route1
    • In-stock
      4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide|CS-0153024
      56187-04-3
    • Ethane-1,2-diyl bis(4-methylbenzenesulfonate) Plerixafor Impurity|CS-0213943
      6315-52-2
    • ~89%
    • In-stock
      1,4,7-Tri(p-tolylsulfonyl)-1,4,7-triazacyclononane|CS-M2633
      52667-89-7

    References

    • Gao, Jinzhang; He, Hui; Zhang, Xuan; Lu, Xiaoquan; Kang, Jingwan Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 2 p. 372 - 375
  • Route2
    • Ethane-1,2-diyl bis(4-methylbenzenesulfonate) Plerixafor Impurity|CS-0213943
      6315-52-2
    • null|null
      52601-80-6
    • ~77%
    • In-stock
      1,4,7-Tri(p-tolylsulfonyl)-1,4,7-triazacyclononane|CS-M2633
      52667-89-7

    References

    • Hasserodt, Jens Patent: US2007/218010 A1, 2007 ; Location in patent: Page/Page column 14; 19 ;
  • Route3
    • In-stock
      4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide|CS-0153024
      56187-04-3
    • null|null
      106-93-4
    • ~80%
    • In-stock
      1,4,7-Tri(p-tolylsulfonyl)-1,4,7-triazacyclononane|CS-M2633
      52667-89-7

    References

    • Chavez, F.; Sherry, A. D. Journal of Organic Chemistry, 1989 , vol. 54, # 12 p. 2990 - 2992

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   112.14
  • LogP   2.99796
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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