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CS-W001157 4
Total: USD 88.00

(1R,6S)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate

  • CAS No. 370881-22-4

  • Cat. No. CS-0088195
  • Purity95+%
  • MDL No.None

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

(1R,6S)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0088195

Structure of 370881-22-4

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General Information

  • CAS No. 370881-22-4
  • Cat. No. CS-0088195
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀N₂O₂
  • Molecular Weight 212.29
  • Synonym(s) (1R,6S)-8-Boc-3,8-diazabicyclo[4.2.0]octane
  • SMILES O=C(N1C[C@@]2([H])[C@]1([H])CNCC2)OC(C)(C)C

Synthesis

  • Route1
    • null|null
      923957-48-6
    • ~60%
    • (1R,6S)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0088195
      370881-22-4

    References

    • Schrimpf, Michael R.; Tietje, Karin R.; Toupence, Richard B.; Ji, Jianguo; Basha, Anwer; Bunnelle, William H.; Daanen, Jerome F.; Pace, Jennifer M.; Sippy, Kevin B. Patent: US2002/19388 A1, 2002 ;
  • Route2
    • null|null
      851526-79-9
    • ~56%
    • (1R,6S)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0088195
      370881-22-4

    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 27 ;
  • Route3
    • null|null
      370882-98-7
    • ~%
    • (1R,6S)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0088195
      370881-22-4

    References

    • Frost, Jennifer M.; Bunnelle, William H.; Tietje, Karin R.; Anderson, David J.; Rueter, Lynne E.; Curzon, Peter; Surowy, Carol S.; Ji, Anquo; Daanen, Jerome F.; Kohlhaas, Kathy L.; Buckley, Michael J.; Henry, Rodger F.; Dyhring, Tino; Ahring, Philip K.; Meyer, Michael D. Journal of Medicinal Chemistry, 2006 , vol. 49, # 26 p. 7843 - 7853

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.2152
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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