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CS-W001157 4
Total: USD 88.00

Methyl benzofuran-6-carboxylate

  • CAS No. 588703-29-1

  • Cat. No. CS-0044331
  • Purity≥98%
  • MDL No.MFCD11977827

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

Methyl benzofuran-6-carboxylate|CS-0044331

Structure of 588703-29-1

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General Information

  • CAS No. 588703-29-1
  • Cat. No. CS-0044331
  • Purity ≥98%
  • MDL No. MFCD11977827
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₃
  • Molecular Weight 176.17
  • Synonym(s) Methyl 1-benzofuran-6-carboxylate
  • SMILES O=C(OC)C1=CC=C(C=CO2)C2=C1

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • null|null
      227752-25-2
    • ~93%
    • In-stock
      Methyl benzofuran-6-carboxylate|CS-0044331
      588703-29-1

    References

    • SARCODE BIOSCIENCE INC.; ZELLER, James, Robert; VENKATRAMAN, Sripathy; BROT, Elisabeth, C.A.; IYER, Subashree; HALL, Michael Patent: WO2014/18748 A1, 2014 ; Location in patent: Paragraph 00131; 00132; 00133; 00134; 00135 ;
  • Route2
    • Methyl 3-hydroxy-4-((trimethylsilyl)ethynyl)benzoate|CS-0187491
      478169-68-5
    • null|null
      67-56-1
    • ~71%
    • In-stock
      Methyl benzofuran-6-carboxylate|CS-0044331
      588703-29-1

    References

    • Walker, Daniel Patrick; Piotrowski, David W.; Jacobsen, Eric Jon; Acker, Brad A.; Groppi JR., Vincent E. Patent: US2003/232853 A1, 2003 ; Location in patent: Page 45 ;
  • Route3
    • Methyl 3-hydroxy-4-((trimethylsilyl)ethynyl)benzoate|CS-0187491
      478169-68-5
    • ~%
    • In-stock
      Methyl benzofuran-6-carboxylate|CS-0044331
      588703-29-1

    References

    • Wishka, Donn G.; Walker, Daniel P.; Yates, Karen M.; Reitz, Steven C.; Jia, Shaojuan; Myers, Jason K.; Olson, Kirk L.; Jacobsen, E. Jon; Wolfe, Mark L.; Groppi, Vincent E.; Hanchar, Alexander J.; Thornburgh, Bruce A.; Cortes-Burgos, Luz A.; Wong, Erik H. F.; Staton, Brian A.; Raub, Thomas J.; Higdon, Nicole R.; Wall, Theron M.; Hurst, Raymond S.; Walters, Rodney R.; Hoffmann, William E.; Hajos, Mihaly; Franklin, Stanley; Carey, Galen; Gold, Lisa H.; Cook, Karen K.; Sands, Steven B.; Zhao, Sabrina X.; Soglia, John R.; Kalgutkar, Amit S.; Arneric, Stephen P.; Rogers, Bruce N. Journal of Medicinal Chemistry, 2006 , vol. 49, # 14 p. 4425 - 4436

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   39.44
  • LogP   2.2194
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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