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CS-W001157 4
Total: USD 88.00

(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone

  • CAS No. 21091-98-5

  • Cat. No. CS-0151086
  • Purity≥95%
  • MDL No.MFCD00585638

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

(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone|CS-0151086

Structure of 21091-98-5

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General Information

  • CAS No. 21091-98-5
  • Cat. No. CS-0151086
  • Purity ≥95%
  • MDL No. MFCD00585638
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N₃O₃
  • Molecular Weight 249.27
  • Synonym(s) (4-methylpiperazin-1-yl)-(4-nitrophenyl)methanone
  • SMILES CN1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • In-stock
      N-Methylpiperazine|CS-0009394
      109-01-3
    • null|null
      122-04-3
    • ~84%
    • In-stock
      (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone|CS-0151086
      21091-98-5

    References

    • SUPERGEN, INC. Patent: US2008/214558 A1, 2008 ; Location in patent: Page/Page column 23-24 ; US 20080214558 A1
  • Route2

    References

    • ENDO PHARMACEUTICALS INC.; SMITH, Roger, Astbury; THOMPSON, Scott, Kevin; HOSAHALLI, Subramanya; BEJUGAM, Mallesham; NANDURI, Srinivas; PANIGRAHI, Sunil, Kumar; MAHALINGAM, Natarajan Patent: WO2012/58671 A1, 2012 ; Location in patent: Page/Page column 79 ;
  • Route3
    • In-stock
      4-Bromo-2-fluoroaniline|CS-W007557
      367-24-8
    • null|null
      30806-83-8
    • ~68%
    • In-stock
      (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone|CS-0151086
      21091-98-5

    References

    • ENDO PHARMACEUTICALS INC.; SMITH, Roger, Astbury; THOMPSON, Scott, Kevin; HOSAHALLI, Subramanya; BEJUGAM, Mallesham; NANDURI, Srinivas; PANIGRAHI, Sunil, Kumar; MAHALINGAM, Natarajan Patent: WO2012/58671 A1, 2012 ; Location in patent: Page/Page column 81 ;

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   66.69
  • LogP   0.9824
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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