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CS-W001157 4
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Ethyl 2-(5-nitropyridin-2-yl)acetate

  • CAS No. 174890-57-4

  • Cat. No. CS-0035907
  • Molecule weight210.19
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-(5-nitropyridin-2-yl)acetate|CS-0035907

Structure of 174890-57-4

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General Information

  • CAS No. 174890-57-4
  • Cat. No. CS-0035907
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₄
  • Molecular Weight 210.19
  • Synonym(s) 2-Pyridineacetic acid, 5-nitro-, ethyl ester
  • SMILES CCOC(=O)CC1=NC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • US2007/249649 A1, ; Page/Page column 68 ; US 20070249649 A1
  • Route2
    • Diethyl 2-(5-nitropyridin-2-yl)malonate|CS-0326875
      60891-70-5
    • ~56%
    • Ethyl 2-(5-nitropyridin-2-yl)acetate|CS-0035907
      174890-57-4

    References

    • WO2013/13815 A1, ; Page/Page column 141; 142 ; WO 2013/013815 A1
  • Route3

    References

    • WO2013/13815 A1, ; WO 2013/013815 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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   82.33
  • LogP   1.0954
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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