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CS-W001157 4
Total: USD 88.00

Ethyl 5-nitrobenzofuran-2-carboxylate

  • CAS No. 69604-00-8

  • Cat. No. CS-M1104
  • Purity≥98%
  • MDL No.MFCD00275272

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

Ethyl 5-nitrobenzofuran-2-carboxylate|CS-M1104

Structure of 69604-00-8

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General Information

  • CAS No. 69604-00-8
  • Cat. No. CS-M1104
  • Purity ≥98%
  • MDL No. MFCD00275272
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₅
  • Molecular Weight 235.19
  • Synonym(s) Vilazodone Intermediate 7
  • SMILES O=C(OCC)C1=CC2=CC([N+]([O-])=O)=CC=C2O1

Synthesis

  • Route1

    References

    • WO2013/153492 A2, ; Page/Page column 23 ;
  • Route2
    • null|null
      105-36-2
    • In-stock
      5-Nitrosalicylaldehyde|CS-M1907
      97-51-8
    • ~22%
    • In-stock
      Ethyl 5-nitrobenzofuran-2-carboxylate|CS-M1104
      69604-00-8

    References

    • Bioorganic and Medicinal Chemistry, , vol. 18, # 14 p. 4939 - 4946
  • Route3
    • Ethyl 2-(2-formyl-4-nitrophenoxy)acetate|CS-M3517
      51336-43-7
    • ~1%
    • In-stock
      5-Nitrobenzofuran-2-carboxylic acid|CS-0016880
      10242-12-3
    • In-stock
      Ethyl 5-nitrobenzofuran-2-carboxylate|CS-M1104
      69604-00-8
    • null|null
      104862-16-0
    • null|null
      104862-16-0

    References

    • Bulletin of the Chemical Society of Japan, , vol. 58, # 10 p. 2821 - 2825

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   82.58
  • LogP   2.5177
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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