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CS-W001157 4
Total: USD 88.00

Tert-butyl 2,2-difluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]Undecane-9-carboxylate

  • CAS No. 1179337-14-4

  • Cat. No. CS-0441807
  • Molecule weight306.31
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 2,2-difluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]Undecane-9-carboxylate|CS-0441807

Structure of 1179337-14-4

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General Information

  • CAS No. 1179337-14-4
  • Cat. No. CS-0441807
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀F₂N₂O₄
  • Molecular Weight 306.31
  • Synonym(s) 9-Boc-2,2-difluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane
  • SMILES CC(C)(OC(N1CCC2(CNC(C(F)(O2)F)=O)CC1)=O)C

Synthesis

  • Route1
    • null|null
      1179337-13-3
    • ~31%
    • Tert-butyl 2,2-difluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]Undecane-9-carboxylate|CS-0441807
      1179337-14-4

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; HADIDA-RUAH, Sara, Sabina; BINCH, Hayley, Marie; DENINNO, Michael, Paul; FANNING, Lev, Tyler Dewey; FRIEMAN, Bryan, A.; GROOTENHUIS, Peter, Diederik Jan; HILGRAF, Nicole; JOSHI, Pramod; KALLEL, Edward, Adam; PONTILLO, Joseph; SILINA, Alina; SHETH, Urvi, Jagdishbhai; HURLEY, Dennis, James; ARUMUGAM, Vijayalaksmi; MILLER, Mark, Thomas Patent: WO2012/125613 A1, 2012 ; Location in patent: Page/Page column 132 ; WO 2012/125613 A1
  • Route2

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; HADIDA-RUAH, Sara, Sabina; BINCH, Hayley, Marie; DENINNO, Michael, Paul; FANNING, Lev, Tyler Dewey; FRIEMAN, Bryan, A.; GROOTENHUIS, Peter, Diederik Jan; HILGRAF, Nicole; JOSHI, Pramod; KALLEL, Edward, Adam; PONTILLO, Joseph; SILINA, Alina; SHETH, Urvi, Jagdishbhai; HURLEY, Dennis, James; ARUMUGAM, Vijayalaksmi; MILLER, Mark, Thomas Patent: WO2012/125613 A1, 2012 ; WO 2012/125613 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   67.87
  • LogP   1.4953
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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