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Ethyl 1H-pyrrole-1-carboxylate

  • CAS No. 4277-64-9

  • Cat. No. CS-0204758
  • Purity≥98%
  • MDL No.MFCD12923844

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

Ethyl 1H-pyrrole-1-carboxylate|CS-0204758

Structure of 4277-64-9

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General Information

  • CAS No. 4277-64-9
  • Cat. No. CS-0204758
  • Purity ≥98%
  • MDL No. MFCD12923844
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂
  • Molecular Weight 139.15
  • Synonym(s) Ethyl pyrrole-1-carboxylate
  • SMILES O=C(OCC)N1C=CC=C1

Synthesis

  • Route1

    References

    • Heller, Stephen T.; Schultz, Erica E.; Sarpong, Richmond Angewandte Chemie - International Edition, 2012 , vol. 51, # 33 p. 8304 - 8308
  • Route2
    • null|null
      16199-06-7
    • null|null
      541-41-3
    • ~89%
    • Ethyl 1H-pyrrole-1-carboxylate|CS-0204758
      4277-64-9

    References

    • Drew, Michael G. B.; George, Adrian V.; Isaacs, Neil S.; Rzepa, Henry S. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1277 - 1284
  • Route3

    References

    • Tsuchiya; Kurita; Takayama Chemical and Pharmaceutical Bulletin, 1980 , vol. 28, # 9 p. 2676 - 2681

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   31.23
  • LogP   1.4927
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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