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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 851526-80-2

  • Cat. No. CS-0048663
  • Purity≥97%
  • MDL No.None

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

tert-Butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0048663

Structure of 851526-80-2

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General Information

  • CAS No. 851526-80-2
  • Cat. No. CS-0048663
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀N₂O₂
  • Molecular Weight 212.29
  • Synonym(s) (1S,6R)-8-Boc-3,8-diazabicyclo[4.2.0]octane
  • SMILES CC(C)(C)OC(=O)N1C[C@H]2CCNC[C@@H]12

Synthesis

  • Route1
    • null|null
      923957-49-7
    • ~96%
    • tert-Butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0048663
      851526-80-2

    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
  • Route2
    • Tert-butyl (1S,6R)-8-((R)-1-phenylethyl)-3,8-diazabicyclo[4.2.0]Octane-3-carboxylate|CS-0541023
      923956-64-3
    • ~%
    • tert-Butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0048663
      851526-80-2

    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
  • Route3
    • null|null
      923956-66-5
    • ~%
    • tert-Butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0048663
      851526-80-2

    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

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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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