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Ethyl 6-bromobenzofuran-2-carboxylate

  • CAS No. 907945-62-4

  • Cat. No. CS-0315415
  • Purity≥97%
  • MDL No.MFCD16038162

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

Ethyl 6-bromobenzofuran-2-carboxylate|CS-0315415

Structure of 907945-62-4

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General Information

  • CAS No. 907945-62-4
  • Cat. No. CS-0315415
  • Purity ≥97%
  • MDL No. MFCD16038162
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉BrO₃
  • Molecular Weight 269.09
  • Synonym(s) 2-Benzofurancarboxylic acid, 6-bromo-, ethyl ester
  • SMILES CCOC(=O)C1=CC2=C(C=C(C=C2)Br)O1

Synthesis

  • Route1

    References

    • Takeda Pharmaceutical Company Limited Patent: EP1849465 A1, 2007 ; Location in patent: Page/Page column 85 ;
  • Route2
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    • In-stock
      Ethyl 6-bromobenzofuran-2-carboxylate|CS-0315415
      907945-62-4

    References

    • Sall, Daniel J.; Arfsten, Ann E.; Bastian, Jolie A.; Denney, Michael L.; Harms, Cathy S.; McCowan, Jefferson R.; Morin Jr., John M.; Rose, Jack W.; Scarborough, Robert M.; Smyth, Mark S.; Um, Suzane L.; Utterback, Barbara G.; Vasileff, Robert T.; Wikel, James H.; Wyss, Virginia L.; Jakubowski, Joseph A. Journal of Medicinal Chemistry, 1997 , vol. 40, # 18 p. 2843 - 2857
  • Route3

    References

    • Sall, Daniel J.; Arfsten, Ann E.; Bastian, Jolie A.; Denney, Michael L.; Harms, Cathy S.; McCowan, Jefferson R.; Morin Jr., John M.; Rose, Jack W.; Scarborough, Robert M.; Smyth, Mark S.; Um, Suzane L.; Utterback, Barbara G.; Vasileff, Robert T.; Wikel, James H.; Wyss, Virginia L.; Jakubowski, Joseph A. Journal of Medicinal Chemistry, 1997 , vol. 40, # 18 p. 2843 - 2857

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   39.44
  • LogP   3.372
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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