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tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate

  • CAS No. 848591-80-0

  • Cat. No. CS-0046648
  • Purity≥97%
  • MDL No.MFCD09056795

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

tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0046648

Structure of 848591-80-0

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General Information

  • CAS No. 848591-80-0
  • Cat. No. CS-0046648
  • Purity ≥97%
  • MDL No. MFCD09056795
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀N₂O₂
  • Molecular Weight 212.29
  • Synonym(s) 8-Boc-3,8-diazabicyclo[4.2.0]octane
  • SMILES O=C(N1CC2CCNCC12)OC(C)(C)C

Synthesis

  • Route1
    • null|null
      848591-79-7
    • ~54%
    • tert-Butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate|CS-0046648
      848591-80-0

    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. Patent: US2005/65178 A1, 2005 ; Location in patent: Page/Page column 21 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-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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