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CS-W001157 4
Total: USD 88.00

Ethyl 6-bromo-1-benzothiophene-2-carboxylate

  • CAS No. 105191-64-8

  • Cat. No. CS-0053883
  • Purity≥98%
  • MDL No.None

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

Ethyl 6-bromo-1-benzothiophene-2-carboxylate|CS-0053883

Structure of 105191-64-8

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General Information

  • CAS No. 105191-64-8
  • Cat. No. CS-0053883
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉BrO₂S
  • Molecular Weight 285.16
  • Synonym(s) 6-Brombenzothiophen-2-carbonsaeure-ethylester
  • SMILES O=C(C1=CC2=CC=C(Br)C=C2S1)OCC

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2007/92751 A2, 2007 ; Location in patent: Page/Page column 29 ;
  • Route2
    • null|null
      623-51-8
    • In-stock
      2-Fluoro-4-bromobenzaldehyde|CS-W008610
      57848-46-1
    • ~10%
    • In-stock
      Ethyl 6-bromo-1-benzothiophene-2-carboxylate|CS-0053883
      105191-64-8

    References

    • Niculescu-Duvaz, Dan; Niculescu-Duvaz, Ion; Suijkerbuijk, Bart M.J.M.; Menard, Delphine; Zambon, Alfonso; Davies, Lawrence; Pons, Jean-Francois; Whittaker, Steven; Marais, Richard; Springer, Caroline J. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 5 p. 1284 - 1304
  • Route3
    • null|null
      64-17-5
    • null|null
      105212-27-9
    • ~71%
    • In-stock
      Ethyl 6-bromo-1-benzothiophene-2-carboxylate|CS-0053883
      105191-64-8

    References

    • Dann, Otto; Char, Helmut; Fleischmann, Paul; Fricke, Helmut Liebigs Annalen der Chemie, 1986 , # 3 p. 438 - 455

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
Precautionary Statements : P261-P280-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.8405
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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