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Benzo[b]thiophene-2,6-dicarboxylic acid 2-ethyl ester

  • CAS No. 850074-43-0

  • Cat. No. CS-0053884
  • Molecule weight250.27
  • Purity≥97%
  • MDL No.MFCD13180603

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

Benzo[b]thiophene-2,6-dicarboxylic acid 2-ethyl ester|CS-0053884

Structure of 850074-43-0

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General Information

  • CAS No. 850074-43-0
  • Cat. No. CS-0053884
  • Purity ≥97%
  • MDL No. MFCD13180603
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀O₄S
  • Molecular Weight 250.27
  • Synonym(s) 2-ethoxycarbonylbenzothiophene-6-carboxylic acid
  • SMILES O=C(C1=CC2=CC=C(C(O)=O)C=C2S1)OCC

Synthesis

  • Route1
    • null|null
      850074-42-9
    • ~74%
    • In-stock
      Benzo[b]thiophene-2,6-dicarboxylic acid 2-ethyl ester|CS-0053884
      850074-43-0

    References

    • Liang, Chungen; Tang, Guozhi; Wong, Jason Christopher; Wu, Xihan; Zhang, Zhenshan Patent: US2010/216806 A1, 2010 ; Location in patent: Page/Page column 88 ;
  • Route2

    References

    • Witter, David J.; Belvedere, Sandro; Chen, Liqiang; Secrist, J. Paul; Mosley, Ralph T.; Miller, Thomas A. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 16 p. 4562 - 4567

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

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   2.7762
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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