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CS-W001157 4
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tert-Butyl N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]carbamate

  • CAS No. 1232365-42-2

  • Cat. No. CS-0047960
  • Molecule weight237.24
  • Purity≥97%
  • MDL No.None

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

tert-Butyl N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]carbamate|CS-0047960

Structure of 1232365-42-2

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General Information

  • CAS No. 1232365-42-2
  • Cat. No. CS-0047960
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇F₂NO₃
  • Molecular Weight 237.24
  • Synonym(s) 1-(Boc-amino)-3,3-difluorocyclobutane-1-methanol
  • SMILES CC(C)(C)OC(=O)NC1(CO)CC(F)(F)C1

Synthesis

  • Route1
    • Ethyl 1-((tert-butoxycarbonyl)amino)-3,3-difluorocyclobutane-1-carboxylate|CS-0935871
      1232365-41-1
    • ~91%
    • tert-Butyl N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]carbamate|CS-0047960
      1232365-42-2

    References

    • MEDIVIR UK LIMITED; AYESA, Susana; CARLQUIST, Peter; ERSMARK, Karolina; GRABOWSKA, Urszula; HEWITT, Ellen; JOeNSSON, Daniel; KAHNBERG, Pia; KLASSON, Bjoern; LIND, Peter; ODEN, Lourdes; PARKES, Kevin; WIKTELIUS, Daniel Patent: WO2011/70541 A1, 2011 ; Location in patent: Page/Page column 25 ;
  • Route2
    • Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate|CS-0052770
      54166-15-3
    • ~%
    • tert-Butyl N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]carbamate|CS-0047960
      1232365-42-2

    References

    • MEDIVIR UK LIMITED; AYESA, Susana; GRABOWSKA, Urszula; HEWITT, Ellen; JOeNSSON, Daniel; KLASSON, Bjoern; KAHNBERG, Pia; LUNDGREN, Stina; TEJBRANT, Jan; WIKTELIUS, Daniel Patent: WO2011/158197 A1, 2011 ; WO 2011/158197 A1
  • Route3

    References

    • MEDIVIR UK LIMITED; AYESA, Susana; GRABOWSKA, Urszula; HEWITT, Ellen; JOeNSSON, Daniel; KLASSON, Bjoern; KAHNBERG, Pia; LUNDGREN, Stina; TEJBRANT, Jan; WIKTELIUS, Daniel Patent: WO2011/158197 A1, 2011 ; WO 2011/158197 A1

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-H320-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   58.56
  • LogP   1.6713
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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