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CS-W001157 4
Total: USD 88.00

1-benzylpyrrole-2-carboxylic acid

  • CAS No. 18159-22-3

  • Cat. No. CS-0208111
  • Purity≥97%
  • MDL No.MFCD00894448

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

1-benzylpyrrole-2-carboxylic acid|CS-0208111

Structure of 18159-22-3

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General Information

  • CAS No. 18159-22-3
  • Cat. No. CS-0208111
  • Purity ≥97%
  • MDL No. MFCD00894448
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₂
  • Molecular Weight 201.22
  • Synonym(s) 1-BENZYL-PYRROLE-2-CARBOXYLIC ACID
  • SMILES C1=CC=C(C=C1)CN2C=CC=C2C(=O)O

Synthesis

  • Route1
    • In-stock
      1-Benzylpyrrole|CS-W014334
      2051-97-0
    • null|null
      124-38-9
    • ~82%
    • In-stock
      1-benzylpyrrole-2-carboxylic acid|CS-0208111
      18159-22-3

    References

    • Nemoto, Koji; Onozawa, Satoru; Egusa, Naoki; Morohashi, Naoya; Hattori, Tetsutaro Tetrahedron Letters, 2009 , vol. 50, # 31 p. 4512 - 4514
  • Route2
    • Methyl 1-benzyl-1H-pyrrole-2-carboxylate|CS-0725782
      18159-23-4
    • ~94%
    • In-stock
      1-benzylpyrrole-2-carboxylic acid|CS-0208111
      18159-22-3

    References

    • Mochona, Bereket; Le, Laine; Gangapuram, Madhavi; Mateeva, Nelly; Ardley, Tiffany; Redda, Kinfe K. Journal of Heterocyclic Chemistry, 2010 , vol. 47, # 6 p. 1367 - 1371
  • Route3

    References

    • Mai; Artico, Marino; Esposito; Ragno; Sbardella; Massa Farmaco, 2003 , vol. 58, # 3 p. 231 - 241

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   42.23
  • LogP   2.2346
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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