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CS-W001157 4
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8-Benzyl-3,8-diazabicyclo[3.2.1]octan-2-one

  • CAS No. 824982-17-4

  • Cat. No. CS-0185209
  • Purity≥98%
  • MDL No.None

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

8-Benzyl-3,8-diazabicyclo[3.2.1]octan-2-one|CS-0185209

Structure of 824982-17-4

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General Information

  • CAS No. 824982-17-4
  • Cat. No. CS-0185209
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂O
  • Molecular Weight 216.28
  • Synonym(s) 8-benzyl-3,8-diazabicyclo[3.2.1]octan-4-one
  • SMILES O=C1C(N2CC3=CC=CC=C3)CCC2CN1

Synthesis

  • Route1
    • Methyl 1-benzyl-5-(nitromethylene)pyrrolidine-2-carboxylate|CS-0748445
      824982-16-3
    • ~36%
    • 8-Benzyl-3,8-diazabicyclo[3.2.1]octan-2-one|CS-0185209
      824982-17-4

    References

    • Basha, Anwer; Bunnelle, William H.; Dart, Michael J.; Gallagher, Megan E.; Ji, Jianguo; Li, Tao; Pace, Jennifer M.; Ryther, Keith B.; Tietje, Karin R.; Mortell, Kathleen H.; Nersesian, Diana L.; Schrimpf, Michael R. Patent: US2005/101602 A1, 2005 ; Location in patent: Page/Page column 25 ;

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

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   1.1494
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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