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CS-W001157 4
Total: USD 88.00

Ethyl 3-oxo-3-(4-nitrophenyl)propanoate

  • CAS No. 838-57-3

  • Cat. No. CS-0022845
  • Purity≥98%
  • MDL No.MFCD00007357

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

Ethyl 3-oxo-3-(4-nitrophenyl)propanoate|CS-0022845

Structure of 838-57-3

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General Information

  • CAS No. 838-57-3
  • Cat. No. CS-0022845
  • Purity ≥98%
  • MDL No. MFCD00007357
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₅
  • Molecular Weight 237.21
  • Synonym(s) Ethyl 4-nitro-beta-oxobenzenepropanoate
  • SMILES O=C(OCC)CC(C1=CC=C([N+]([O-])=O)C=C1)=O

Description

EACA is directly soluble in water at 25 mg/ml. As an inhibitor of plasmin it is has been utilized in the clotting buffer for fibrinogen assays. This buffer is 10 mM potassium and sodium phosphate, pH 6.4, with 0.20 g CaCl2, 5 g 6-Aminohexanoic acid, 1 g sodium azide, and 9 g NaCl in 1 liter. The buffer is stable indefinitely at room temperature.

Synthesis

  • Route1
    • null|null
      623-73-4
    • In-stock
      4-Nitrobenzaldehyde|CS-W007577
      555-16-8
    • ~94%
    • In-stock
      Ethyl 3-oxo-3-(4-nitrophenyl)propanoate|CS-0022845
      838-57-3

    References

    • Jeyakumar, Kandasamy; Chand, Dillip Kumar Synthesis, 2008 , # 11 p. 1685 - 1687
  • Route2
    • In-stock
      Ethyl 4-nitrobenzoate|CS-0016919
      99-77-4
    • null|null
      141-78-6
    • ~84%
    • In-stock
      Ethyl 3-oxo-3-(4-nitrophenyl)propanoate|CS-0022845
      838-57-3

    References

    • Clark, Adrian D.; Ha, Uyen T.; Prager, Rolf H.; Smith, Jason A. Australian Journal of Chemistry, 1999 , vol. 52, # 11 p. 1029 - 1033
  • Route3
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • null|null
      105-58-8
    • ~80%
    • In-stock
      Ethyl 3-oxo-3-(4-nitrophenyl)propanoate|CS-0022845
      838-57-3

    References

    • Cocco; Maccioni; Plumitallo Farmaco, Edizione Scientifica, 1985 , vol. 40, # 4 p. 272 - 284

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

Quality Control

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   1.7307
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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