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CS-W001157 4
Total: USD 88.00

Ethyl 4-(1H-pyrrol-1-yl)benzoate

  • CAS No. 5044-37-1

  • Cat. No. CS-0319964
  • Purity≥97%
  • MDL No.None

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

Ethyl 4-(1H-pyrrol-1-yl)benzoate|CS-0319964

Structure of 5044-37-1

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General Information

  • CAS No. 5044-37-1
  • Cat. No. CS-0319964
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃NO₂
  • Molecular Weight 215.25
  • Synonym(s) 1-(4-ethoxycarbonylphenyl)pyrrole
  • SMILES CCOC(=O)C1=CC=C(C=C1)N2C=CC=C2

Synthesis

  • Route1

    References

    • Ma, Fei-Ping; Li, Pei-He; Li, Bao-Le; Mo, Li-Ping; Liu, Ning; Kang, Hui-Jun; Liu, Ya-Nan; Zhang, Zhan-Hui Applied Catalysis A: General, 2013 , vol. 457, p. 34 - 41
  • Route2

    References

    • Panda, Niranjan; Jena, Ashis Kumar; Mohapatra, Sasmita; Rout, Smruti Ranjan Tetrahedron Letters, 2011 , vol. 52, # 16 p. 1924 - 1927
  • Route3

    References

    • Panda, Niranjan; Jena, Ashis Kumar; Mohapatra, Sasmita; Rout, Smruti Ranjan Tetrahedron Letters, 2011 , vol. 52, # 16 p. 1924 - 1927

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   31.23
  • LogP   2.654
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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