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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 370881-96-2

  • Cat. No. CS-0021109
  • Purity95+%
  • MDL No.None

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

(1S,6R)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate|CS-0021109

Structure of 370881-96-2

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General Information

  • CAS No. 370881-96-2
  • Cat. No. CS-0021109
  • 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) 2-Methyl-2-Propanyl 3,8-Diazabicyclo[4.2.0]Octane-3-Carboxylate
  • SMILES O=C(N1C[C@@]2([H])NC[C@@]2([H])CC1)OC(C)(C)C

Synthesis

  • Route1
    • null|null
      1293940-99-4
    • ~75%
    • (1S,6R)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate|CS-0021109
      370881-96-2

    References

    • JANSSEN PHARMACEUTICA NV; BRANSTETTER, Bryan, James; LETAVIC, Michael, A.; LY, Kiev, S.; RUDOLPH, Dale, A.; SAVALL, Brad, M.; SHAH, Chandravadan, R.; SHIREMAN, Brock, T. Patent: WO2011/50202 A1, 2011 ; Location in patent: Page/Page column 64-65 ; WO 2011/050202 A1
  • Route2
    • Tert-butyl (1S,6R)-8-((R)-1-phenylethyl)-3,8-diazabicyclo[4.2.0]Octane-3-carboxylate|CS-0541023
      923956-64-3
    • ~88%
    • (1S,6R)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate|CS-0021109
      370881-96-2

    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
      923956-59-6
    • ~%
    • (1S,6R)-tert-Butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate|CS-0021109
      370881-96-2

    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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