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CS-W001157 4
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1-(Benzo[d][1,3]dioxol-5-yl)ethanone Paroxetine Impurity

  • CAS No. 3162-29-6

  • Cat. No. CS-0213986
  • Purity≥97%
  • MDL No.MFCD00005831

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

1-(Benzo[d][1,3]dioxol-5-yl)ethanone Paroxetine Impurity|CS-0213986

Structure of 3162-29-6

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General Information

  • CAS No. 3162-29-6
  • Cat. No. CS-0213986
  • Purity ≥97%
  • MDL No. MFCD00005831
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) TIMTEC-BB SBB007858
  • SMILES CC(C1=CC=C(OCO2)C2=C1)=O

Synthesis

  • Route1

    References

    • Guziec, Frank S.; Luzzio, Frederick A. Synthesis, 1980 , # 9 p. 691 - 694
  • Route2

    References

    • Villalobos, Janette M.; Srogl, Jiri; Liebeskind, Lanny S. Journal of the American Chemical Society, 2007 , vol. 129, # 51 p. 15734 - 15735
  • Route3
    • null|null
      120-58-1
    • ~87%
    • 1-(Benzo[d][1,3]dioxol-5-yl)ethanone Paroxetine Impurity|CS-0213986
      3162-29-6

    References

    • Sharma, Naina; Sharma, Abhishek; Kumar, Rakesh; Shard, Amit; Sinha, Arun K. European Journal of Organic Chemistry, 2010 , # 31 p. 6025 - 6032

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   1.6179
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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