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CS-W001157 4
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Benzyl 4-(pyrrolidin-3-yl)piperazine-1-carboxylate

  • CAS No. 436852-08-3

  • Cat. No. CS-0452515
  • Purity≥98%
  • MDL No.None

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

Benzyl 4-(pyrrolidin-3-yl)piperazine-1-carboxylate|CS-0452515

Structure of 436852-08-3

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General Information

  • CAS No. 436852-08-3
  • Cat. No. CS-0452515
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₃N₃O₂
  • Molecular Weight 289.37
  • Synonym(s) 4-(3-Pyrrolidinyl)-1-piperazinecarboxylic acid phenylmethyl ester
  • SMILES C1=CC=C(C=C1)COC(=O)N2CCN(CC2)C3CCNC3

Synthesis

  • Route1

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/74925 A1, 2006 ; Location in patent: Page/Page column 95 ; WO 2006/074925 A1
  • Route2
    • null|null
      546-68-9
    • In-stock
      Benzyl piperazine-1-carboxylate|CS-W002603
      31166-44-6
    • null|null
      101385-93-7
    • ~%
    • Benzyl 4-(pyrrolidin-3-yl)piperazine-1-carboxylate|CS-0452515
      436852-08-3

    References

    • Bilodeau, Mark T.; Hartman, George D.; Hoffman JR., Jacob M.; Sisko, John T.; Manley, Peter J.; Smith, Anthony M.; Tucker, Thomas J.; Lumma JR., William C.; Rodman, Leonard Patent: US2002/137755 A1, 2002 ; US 20020137755 A1

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   44.81
  • LogP   1.3027
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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