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CS-W001157 4
Total: USD 88.00

1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone

  • CAS No. 163733-55-9

  • Cat. No. CS-0117082
  • Purity≥98%
  • MDL No.None

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

1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone|CS-0117082

Structure of 163733-55-9

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General Information

  • CAS No. 163733-55-9
  • Cat. No. CS-0117082
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₂N₂O
  • Molecular Weight 294.39
  • Synonym(s) 1-[4-(4-BENZYL-PIPERAZIN-1-YL)-PHENYL]-ETHANONE
  • SMILES CC(C1=CC=C(N2CCN(CC3=CC=CC=C3)CC2)C=C1)=O

Synthesis

  • Route1
    • null|null
      100-52-7
    • null|null
      51639-48-6
    • ~55%
    • 1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone|CS-0117082
      163733-55-9

    References

    • DAC S.R.L. Patent: WO2007/113249 A2, 2007 ; Location in patent: Page/Page column 79-80 ; WO 2007/113249 A2
  • Route2
    • null|null
      100-39-0
    • null|null
      51639-48-6
    • ~%
    • 1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone|CS-0117082
      163733-55-9

    References

    • Akhtar, Mahmoud; Kroll, Friedrich E.K.; Gani, David Tetrahedron Letters, 2000 , vol. 41, # 22 p. 4487 - 4491
  • Route3

    References

    • BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2004/37810 A1, 2004 ; Location in patent: Page/Page column 120 ; WO 2004/037810 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   23.55
  • LogP   3.2114
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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