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CS-W001157 4
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Methyl 3-(3-nitrophenyl)-3-oxopropanoate

  • CAS No. 83256-99-9

  • Cat. No. CS-0347344
  • Purity≥98%
  • MDL No.None

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

Methyl 3-(3-nitrophenyl)-3-oxopropanoate|CS-0347344

Structure of 83256-99-9

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General Information

  • CAS No. 83256-99-9
  • Cat. No. CS-0347344
  • 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-nitrobenzoylacetate
  • SMILES O=C(OC)CC(C1=CC=CC([N+]([O-])=O)=C1)=O

Synthesis

  • Route1

    References

    • Gomez, Virginia; Perez-Medrano, Arturo; Muchowski, Joseph M. Journal of Organic Chemistry, 1994 , vol. 59, # 5 p. 1219 - 1221
  • Route2
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • null|null
      6832-16-2
    • ~84%
    • Methyl 3-(3-nitrophenyl)-3-oxopropanoate|CS-0347344
      83256-99-9

    References

    • Pandey, Rajesh K.; Deshmukh, Anis N.; Kumar, Pradeep Synthetic Communications, 2004 , vol. 34, # 6 p. 1117 - 1123
  • Route3
    • 3-(3-Nitrophenyl)propiolic acid|CS-0269031
      4996-15-0
    • ~%
    • Methyl 3-(3-nitrophenyl)-3-oxopropanoate|CS-0347344
      83256-99-9

    References

    • Gomez, Virginia; Perez-Medrano, Arturo; Muchowski, Joseph M. Journal of Organic Chemistry, 1994 , vol. 59, # 5 p. 1219 - 1221

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   1.3406
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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