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CS-W001157 4
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ethyl 2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

  • CAS No. 3652-48-0

  • Cat. No. CS-0062129
  • Molecule weight229.27
  • Purity≥95%
  • MDL No.None

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

ethyl 2-methyl-5-phenyl-1H-pyrrole-3-carboxylate|CS-0062129

Structure of 3652-48-0

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General Information

  • CAS No. 3652-48-0
  • Cat. No. CS-0062129
  • Purity ≥95%
  • 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) ethyl 2-methyl-5-phenyl-pyrrole-3-carboxylate
  • SMILES N1C(=C(C=C1C=2C=CC=CC2)C(=O)OCC)C

Synthesis

  • Route1
    • Ethyl 2-acetyl-4-oxo-4-phenylbutanoate|CS-0230207
      52313-46-9
    • ~91%
    • In-stock
      ethyl 2-methyl-5-phenyl-1H-pyrrole-3-carboxylate|CS-0062129
      3652-48-0

    References

    • Zhang, Chun; Wang, Jian; Li, Jing-Hua Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 1 p. 204 - 207
  • Route2
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • null|null
      16722-99-9
    • ~59%
    • In-stock
      ethyl 2-methyl-5-phenyl-1H-pyrrole-3-carboxylate|CS-0062129
      3652-48-0

    References

    • Ng, Eileen Pei Jian; Wang, Yi-Feng; Hui, Benjamin Wei-Qiang; Lapointe, Guillaume; Chiba, Shunsuke Tetrahedron, 2011 , vol. 67, # 40 p. 7728 - 7737
  • Route3
    • null|null
      16717-64-9
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • ~90%
    • In-stock
      ethyl 2-methyl-5-phenyl-1H-pyrrole-3-carboxylate|CS-0062129
      3652-48-0

    References

    • Wang, Yi-Feng; Ton, Kah Kah; Chiba, Shunsuke; Narasaka, Koichi Organic Letters, 2008 , vol. 10, # 21 p. 5019 - 5022

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   42.09
  • LogP   3.16682
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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