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Methyl 3-(2-nitrophenyl)-2-oxopropanoate

  • CAS No. 79547-07-2

  • Cat. No. CS-0108628
  • Molecule weight223.18
  • Purity≥98%
  • MDL No.None

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

Methyl 3-(2-nitrophenyl)-2-oxopropanoate|CS-0108628

Structure of 79547-07-2

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General Information

  • CAS No. 79547-07-2
  • Cat. No. CS-0108628
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₅
  • Molecular Weight 223.18
  • Synonym(s) methyl 3-(o-nitrophenyl)pyruvate
  • SMILES O=C(OC)C(CC1=CC=CC=C1[N+]([O-])=O)=O

Synthesis

  • Route1
    • null|null
      553-90-2
    • null|null
      88-72-2
    • ~61%
    • Methyl 3-(2-nitrophenyl)-2-oxopropanoate|CS-0108628
      79547-07-2

    References

    • Granchi, Carlotta; Roy, Sarabindu; Giacomelli, Chiara; MacChia, Marco; Tuccinardi, Tiziano; Martinelli, Adriano; Lanza, Mario; Betti, Laura; Giannaccini, Gino; Lucacchini, Antonio; Funel, Nicola; Leon, Leticia G.; Giovannetti, Elisa; Peters, Godefridus J.; Palchaudhuri, Rahul; Calvaresi, Emilia C.; Hergenrother, Paul J.; Minutolo, Filippo Journal of Medicinal Chemistry, 2011 , vol. 54, # 6 p. 1599 - 1612

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

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   0.8794
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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