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CS-W001157 4
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Methyl 2-(benzofuran-2-yl)acetate

  • CAS No. 39581-61-8

  • Cat. No. CS-0452098
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(benzofuran-2-yl)acetate|CS-0452098

Structure of 39581-61-8

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General Information

  • CAS No. 39581-61-8
  • Cat. No. CS-0452098
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₃
  • Molecular Weight 190.20
  • Synonym(s) 2-(benzofuran-2-yl)acetic acid methyl ester
  • SMILES COC(=O)CC1=CC2=CC=CC=C2O1

Synthesis

  • Route1
    • null|null
      934569-81-0
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • ~70%
    • Methyl 2-(benzofuran-2-yl)acetate|CS-0452098
      39581-61-8

    References

    • Gabriele, Bartolo; Mancuso, Raffaella; Salerno, Giuseppe; Costa, Mirco Advanced Synthesis and Catalysis, 2006 , vol. 348, # 9 p. 1101 - 1109
  • Route2

    References

    • ARYX THERAPEUTICS Patent: WO2007/11835 A2, 2007 ; Location in patent: Page/Page column 27-29; 36-37 ;
  • Route3
    • 2-(1-Benzofuran-2-yl)acetonitrile|CS-0229861
      95-28-3
    • ~%
    • Methyl 2-(benzofuran-2-yl)acetate|CS-0452098
      39581-61-8

    References

    • Advanced Therapies, Inc. Patent: US5440054 A1, 1995 ;

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   39.44
  • LogP   2.1483
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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