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CS-W001157 4
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Ethyl 1-benzyl-1H-pyrrole-3-carboxylate

  • CAS No. 128259-47-2

  • Cat. No. CS-0444191
  • Purity≥98%
  • MDL No.None

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

Ethyl 1-benzyl-1H-pyrrole-3-carboxylate|CS-0444191

Structure of 128259-47-2

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General Information

  • CAS No. 128259-47-2
  • Cat. No. CS-0444191
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₂
  • Molecular Weight 229.27
  • Synonym(s) 1-Benzylpyrrole-3-carboxylic Acid Ethyl Ester
  • SMILES CCOC(=O)C1=CN(C=C1)CC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Villarreal, Carlos; Martinez, Roberto Synthesis, 2010 , # 19 art. no. M02910SS, p. 3346 - 3352
  • Route2

    References

    • Bonnaud; Bigg Synthesis, 1994 , vol. 1, # 5 p. 465 - 467
  • Route3
    • 1-Benzyl-2,5-Dihydro-1H-pyrrole-3-carboxylic acid ethyl ester|CS-0761050
      128259-46-1
    • ~10%
    • Ethyl 1-benzyl-1H-pyrrole-3-carboxylate|CS-0444191
      128259-47-2

    References

    • Shim, Young Key; Youn, Jung In; Chun, Jae Sang; Park, Tae Ho; Kim, Moon Hwan; Kim, Wan Joo Synthesis, 1990 , # 9 p. 753 - 754

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

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Computational Chemistry Data

  • TPSA   31.23
  • LogP   2.7131
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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