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tert-Butyl 4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate

  • CAS No. 928775-00-2

  • Cat. No. CS-0135202
  • Molecule weight237.30
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate|CS-0135202

Structure of 928775-00-2

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General Information

  • CAS No. 928775-00-2
  • Cat. No. CS-0135202
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉N₃O₂
  • Molecular Weight 237.30
  • Synonym(s) Tert-butyl 4,5,7,8-tetrahydropyrazolo[3,4-D]azepine-6(1H)-carboxylate
  • SMILES CC(OC(N1CCC2=NNC=C2CC1)=O)(C)C

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED; BAILEY, James, Matthew; BROWN, John, Alexander; DEMONT, Emmanuel, Hubert; SEAL, Gail, Astra, Lorraine; SMETHURST, Christian, Alan, Paul; WITHERINGTON, Jason; HARRISON, Lee, Andrew Patent: WO2010/146104 A1, 2010 ; Location in patent: Page/Page column 38-39 ; WO 2010/146104 A1
  • Route2

    References

    • GLAXO GROUP LIMITED Patent: WO2007/25596 A1, 2007 ; Location in patent: Page/Page column 27-28 ; WO 2007/025596 A1
  • Route3

    References

    • GLAXO GROUP LIMITED Patent: WO2007/25596 A1, 2007 ; Location in patent: Page/Page column 28 ; WO 2007/025596 A1

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   58.22
  • LogP   1.7454
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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