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3-Acetyl-1-(phenylsulfonyl)pyrrole

  • CAS No. 81453-98-7

  • Cat. No. CS-0204548
  • Purity95+%
  • MDL No.MFCD00067752

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

3-Acetyl-1-(phenylsulfonyl)pyrrole|CS-0204548

Structure of 81453-98-7

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General Information

  • CAS No. 81453-98-7
  • Cat. No. CS-0204548
  • Purity 95+%
  • MDL No. MFCD00067752
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₃S
  • Molecular Weight 249.29
  • Synonym(s) 3-ACETYL-N-BENZENESULFONYLPYRROLE
  • SMILES O=C(C=1C=CN(C1)S(=O)(=O)C=2C=CC=CC2)C

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 22, # 49 p. 4901 - 4904
  • Route2

    References

    • Tetrahedron Letters, , vol. 22, # 49 p. 4901 - 4904
  • Route3
    • In-stock
      1-(Phenylsulfonyl)-1H-pyrrole|CS-W015264
      16851-82-4
    • null|null
      64-19-7
    • ~0%
    • 3-Acetyl-1-(phenylsulfonyl)pyrrole|CS-0204548
      81453-98-7
    • 1-(1-(Phenylsulfonyl)-1H-pyrrol-2-yl)ethan-1-one|CS-0548099
      86688-88-2

    References

    • Journal of Organic Chemistry, , vol. 48, # 19 p. 3214 - 3219

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   56.14
  • LogP   1.9277
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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