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Ethyl 3-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate

  • CAS No. 332099-31-7

  • Cat. No. CS-0035473
  • Molecule weight229.68
  • Purity≥98%
  • MDL No.MFCD09037969

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

Ethyl 3-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate|CS-0035473

Structure of 332099-31-7

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General Information

  • CAS No. 332099-31-7
  • Cat. No. CS-0035473
  • Purity ≥98%
  • MDL No. MFCD09037969
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClNO₂S
  • Molecular Weight 229.68
  • Synonym(s) None
  • SMILES O=C(C1=CC2=C(C(Cl)=CS2)N1)OCC

Synthesis

  • Route1
    • Ethyl 3-bromo-4h-thieno[3,2-b]pyrrole-5-carboxylate|CS-0662850
      332099-35-1
    • ~75%
    • In-stock
      Ethyl 3-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate|CS-0035473
      332099-31-7

    References

    • SEPRACOR INC. Patent: US2008/4327 A1, 2008 ; Location in patent: Page/Page column 42 ;
  • Route2
    • 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylicacid|CS-0170898
      332099-36-2
    • ~39%
    • In-stock
      Ethyl 3-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate|CS-0035473
      332099-31-7

    References

    • MERCK SHARP and DOHME LIMITED; MERCK and CO., INC. Patent: WO2007/39773 A1, 2007 ; Location in patent: Page/Page column 19-20 ;
  • Route3
    • null|null
      1132670-85-9
    • ~%
    • In-stock
      Ethyl 3-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate|CS-0035473
      332099-31-7

    References

    • Parmentier, Jean-Gilles; Portevin, Bernard; Golsteyn, Roy M.; Pierre, Alain; Hickman, John; Gloanec, Philippe; De Nanteuil, Guillaume Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 3 p. 841 - 844

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   3.0595
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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