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Ethyl 2-(1H-pyrrol-1-yl)acetate

  • CAS No. 5145-67-5

  • Cat. No. CS-0558785
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-(1H-pyrrol-1-yl)acetate|CS-0558785

Structure of 5145-67-5

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General Information

  • CAS No. 5145-67-5
  • Cat. No. CS-0558785
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₂
  • Molecular Weight 153.18
  • Synonym(s) ethyl 1H-pyrrol-1-ylacetate
  • SMILES CCOC(=O)CN1C=CC=C1

Synthesis

  • Route1

    References

    • BIOTA SCIENTIFIC MANAGEMENT PTY LTD; MITCHELL, Jeffrey Peter; PITT, Gary; DRAFFAN, Alistair George; MAYES, Penelope Anne; ANDRAU, Laura; ANDERSON, Kelly Patent: WO2011/94823 A1, 2011 ; Location in patent: Page/Page column 105 ;
  • Route2

    References

    • Chan, T. H.; Lee, S. D. Journal of Organic Chemistry, 1983 , vol. 48, # 18 p. 3059 - 3061
  • Route3
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    • Ethyl 2-(1H-pyrrol-1-yl)acetate|CS-0558785
      5145-67-5

    References

    • Clemo; Ramage Journal of the Chemical Society, 1931 , p. 49,54 Full Text Show Details Blicke; Blake Journal of the American Chemical Society, 1931 , vol. 53, p. 1015,1021 Full Text Show Details Sohl; Shriner Journal of the American Chemical Society, 1931 , vol. 53, p. 4168

Safety Information

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Computational Chemistry Data

  • TPSA   31.23
  • LogP   1.0512
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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