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CS-W001157 4
Total: USD 88.00

1-Methyl-4-((4-nitrobenzyl)sulfonyl)benzene

  • CAS No. 61081-32-1

  • Cat. No. CS-0319724
  • Molecule weight291.32
  • Purity≥97%
  • MDL No.None

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

1-Methyl-4-((4-nitrobenzyl)sulfonyl)benzene|CS-0319724

Structure of 61081-32-1

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General Information

  • CAS No. 61081-32-1
  • Cat. No. CS-0319724
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO₄S
  • Molecular Weight 291.32
  • Synonym(s) 1-Methyl-4-[(4-nitrobenzyl)sulfonyl]benzene
  • SMILES O=S(C1=CC=C(C)C=C1)(CC2=CC=C([N+]([O-])=O)C=C2)=O

Synthesis

  • Route1
    • 4-Methyl-N'-(4-nitrobenzylidene)benzenesulfonohydrazide|CS-0324185
      1747-50-8
    • ~77%
    • 1-Methyl-4-((4-nitrobenzyl)sulfonyl)benzene|CS-0319724
      61081-32-1

    References

    • Sha, Qiang; Wei, Yunyang Tetrahedron, 2013 , vol. 69, # 19 p. 3829 - 3835
  • Route2
    • null|null
      100-14-1
    • null|null
      136384-88-8
    • ~89%
    • 1-Methyl-4-((4-nitrobenzyl)sulfonyl)benzene|CS-0319724
      61081-32-1

    References

    • Xu, Cui-Lian; Chen, Zhen-Chu Tetrahedron Letters, 1991 , vol. 32, # 25 p. 2933 - 2934
  • Route3
    • null|null
      824-79-3
    • null|null
      100-11-8
    • ~95%
    • 1-Methyl-4-((4-nitrobenzyl)sulfonyl)benzene|CS-0319724
      61081-32-1

    References

    • Bram, Georges; Loupy, Andre; Roux-Schmitt, Marie Claude; Sansoulet, Jean; Strzalko, Tekla; Seyden-Penne, Jacqueline Synthesis, 1987 , # 1 p. 56 - 59

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   77.28
  • LogP   2.87712
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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