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CS-W001157 4
Total: USD 88.00

1-(3-methoxy-4-nitrophenyl)piperidin-4-one

  • CAS No. 761440-64-6

  • Cat. No. CS-0005887
  • Molecule weight250.25
  • Purity≥98%
  • MDL No.MFCD09972250

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

1-(3-methoxy-4-nitrophenyl)piperidin-4-one|CS-0005887

Structure of 761440-64-6

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General Information

  • CAS No. 761440-64-6
  • Cat. No. CS-0005887
  • Purity ≥98%
  • MDL No. MFCD09972250
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O₄
  • Molecular Weight 250.25
  • Synonym(s) 1-(3-Methoxy-4-nitrophenyl)-4-piperidinone
  • SMILES O=C(CC1)CCN1C2=CC(OC)=C([N+]([O-])=O)C=C2

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; ADJABENG, George; BAUM, Erich; BIFULCO, Neil; DAVIS-WARD, Ronda, G.; DICKERSON, Scott, Howard; DONALDSON, Kelly, Horne; HORNBERGER, Keith; PETROV, Kimberly; RHEAULT, Tara, Renae; SAMMOND, Douglas, McCord; SCHAAF, Gregory, M.; STELLWAGEN, John; UEHLING, David, Edward; WATERSON, Alex, Gregory Patent: WO2010/104899 A1, 2010 ; Location in patent: Page/Page column 144 ; WO 2010/104899 A1
  • Route2
    • In-stock
      5-Fluoro-2-nitroanisole|CS-B0932
      448-19-1
    • null|null
      41979-39-9
    • ~79%
    • In-stock
      1-(3-methoxy-4-nitrophenyl)piperidin-4-one|CS-0005887
      761440-64-6

    References

    • Astellas Pharma Inc.; OBITSU, Kazuyoshi; AKIBA, Takahiro; KOBAYASHI, Koji; HIRASAWA, Shun; KONDOH, Yutaka; TAKEGUCHI, Kazuhiro; TAKAHAMA, Yuji; ORII, Ryoki Patent: EP2669281 A1, 2013 ; Location in patent: Paragraph 0040 ;
  • Route3

    References

    • ASTRAZENECA AB Patent: US2012/28924 A1, 2012 ; US 20120028924 A1

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

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Computational Chemistry Data

  • TPSA   72.68
  • LogP   1.7727
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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