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CS-W001157 4
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1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one

  • CAS No. 2803-00-1

  • Cat. No. CS-0072963
  • Purity≥97%
  • MDL No.MFCD00438045

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

1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one|CS-0072963

Structure of 2803-00-1

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General Information

  • CAS No. 2803-00-1
  • Cat. No. CS-0072963
  • Purity ≥97%
  • MDL No. MFCD00438045
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅F₃N₂O
  • Molecular Weight 272.27
  • Synonym(s) None
  • SMILES O=C(N1CCN(CC2=CC=CC=C2)CC1)C(F)(F)F

Synthesis

  • Route1
    • null|null
      2759-28-6
    • null|null
      407-25-0
    • ~%
    • 1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one|CS-0072963
      2803-00-1

    References

    • Am. Cyanamid Co. Patent: US2909524 , 1958 ;
  • Route2
    • null|null
      407-25-0
    • null|null
      148120-38-1
    • ~%
    • 1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one|CS-0072963
      2803-00-1

    References

    • Miller, Michael W.; Vice, Susan F.; McCombie, Stuart W. Tetrahedron Letters, 1998 , vol. 39, # 21 p. 3429 - 3432
  • Route3
    • 1-(2,5-Dihydro-1h-pyrrol-1-yl)-2,2,2-trifluoroethan-1-one|CS-0686567
      111185-41-2
    • null|null
      100-46-9
    • ~%
    • 1-(4-Benzylpiperazin-1-yl)-2,2,2-trifluoroethan-1-one|CS-0072963
      2803-00-1

    References

    • Kawaguchi, Mamoru; Hayashi, Osamu; Kanamoto, Masahiro; Hamada, Masayuki; Yamamoto, Yukio; Oda, Jun'ichi Agricultural and Biological Chemistry, 1987 , vol. 51, # 2 p. 435 - 440

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

Quality Control

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Computational Chemistry Data

  • TPSA   23.55
  • LogP   1.8931
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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