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CS-W001157 4
Total: USD 88.00

1H-indol-5-yl acetate

  • CAS No. 5594-91-2

  • Cat. No. CS-0570480
  • Purity≥98%
  • MDL No.None

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

1H-indol-5-yl acetate|CS-0570480

Structure of 5594-91-2

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General Information

  • CAS No. 5594-91-2
  • Cat. No. CS-0570480
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) 5-Acetoxyindole
  • SMILES CC(=O)OC1=CC2=C(C=C1)NC=C2

Synthesis

  • Route1

    References

    • The University of Tokyo; Riken; NAGANO Tetsuo; OKABE Takayoshi; KOJIMA Hirotatsu; SAITO Nae; NAKANO Hirofumi; ABE Masanao; TANAKA Akiko; HONMA Teruki; YOKOYAMA Shigeyuki; TSUGANEZAWA Keiko; YUKI Hitomi Patent: EP2565192 A1, 2013 ; Location in patent: Paragraph 0486 ;
  • Route2
    • 2-Amino-3-(2,5-dihydroxyphenyl)propanoic acid|CS-0450484
      26122-90-7
    • ~%
    • 1H-indol-5-yl acetate|CS-0570480
      5594-91-2

    References

    • Cromartie; Harley-Mason Journal of the Chemical Society, 1952 , p. 2525
  • Route3

    References

    • Pezzella, Alessandro; Palma, Aniello; Iadonisi, Alfonso; Napolitano, Alessandra; d'Ischia, Marco Tetrahedron Letters, 2007 , vol. 48, # 22 p. 3883 - 3886

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.0932
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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