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Diethyl 3,3-difluorocyclobutane-1,1-dicarboxylate

  • CAS No. 827032-79-1

  • Cat. No. CS-0433342
  • Molecule weight236.21
  • Purity≥98%
  • MDL No.None

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

Diethyl 3,3-difluorocyclobutane-1,1-dicarboxylate|CS-0433342

Structure of 827032-79-1

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General Information

  • CAS No. 827032-79-1
  • Cat. No. CS-0433342
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄F₂O₄
  • Molecular Weight 236.21
  • Synonym(s) 1,1-diethyl 3,3-difluorocyclobutane-1,1-dicarboxylate
  • SMILES O=C(C1(CC(F)(C1)F)C(OCC)=O)OCC

Synthesis

  • Route1
    • Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate|CS-0052770
      54166-15-3
    • ~%
    • Diethyl 3,3-difluorocyclobutane-1,1-dicarboxylate|CS-0433342
      827032-79-1

    References

    • MEDIVIR UK LIMITED; AYESA, Susana; ERSMARK, Karolina; GRABOWSKA, Urszula; HEWITT, Ellen; JOeNSSON, Daniel; KAHNBERG, Pia; KLASSON, Bjoern; LIND, Peter; LUNDGREN, Stina; ODEN, Lourdes; PARKES, Kevin; WIKTELIUS, Daniel Patent: WO2011/70539 A1, 2011 ; WO 2011/070539 A1 Title/Abstract Full Text Show Details 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 ;
  • Route2

    References

    • MEDIVIR UK LIMITED; AYESA, Susana; ERSMARK, Karolina; GRABOWSKA, Urszula; HEWITT, Ellen; JOeNSSON, Daniel; KAHNBERG, Pia; KLASSON, Bjoern; LIND, Peter; LUNDGREN, Stina; ODEN, Lourdes; PARKES, Kevin; WIKTELIUS, Daniel Patent: WO2011/70539 A1, 2011 ; WO 2011/070539 A1 Title/Abstract Full Text Show Details 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 ; Title/Abstract Full Text Show Details 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 Title/Abstract Full Text Show Details MEDIVIR UK LTD; GRABOWSKA, Urszula; HEWITT, Ellen; JOeNSSON, Daniel; KLASSON, Bjoern; WIKTELIUS, Daniel Patent: WO2012/172473 A1, 2012 ; WO 2012/172473 A1
  • Route3
    • null|null
      105-53-3
    • ~%
    • Diethyl 3,3-difluorocyclobutane-1,1-dicarboxylate|CS-0433342
      827032-79-1

    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

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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   52.6
  • LogP   1.5281
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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