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CS-W001157 4
Total: USD 88.00

tert-Butyl 4,4-difluorocyclohexylcarbamate

  • CAS No. 675112-67-1

  • Cat. No. CS-0041726
  • Purity≥97%
  • MDL No.MFCD07781263

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

tert-Butyl 4,4-difluorocyclohexylcarbamate|CS-0041726

Structure of 675112-67-1

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General Information

  • CAS No. 675112-67-1
  • Cat. No. CS-0041726
  • Purity ≥97%
  • MDL No. MFCD07781263
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₉F₂NO₂
  • Molecular Weight 235.27
  • Synonym(s) Tert-butyl4,4-difluorocyclohexylcarbaMate
  • SMILES CC(C)(C)OC(=O)NC1CCC(F)(F)CC1

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED Patent: WO2004/50619 A1, 2004 ; Location in patent: Page 71 ; WO 2004/050619 A1
  • Route2
    • In-stock
      (4-Oxocyclohexyl)carbamic acid tert-butyl ester|CS-D1718
      179321-49-4
    • ~67%
    • In-stock
      tert-Butyl 4,4-difluorocyclohexylcarbamate|CS-0041726
      675112-67-1
    • tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate|CS-0669808
      675112-69-3

    References

    • AGIOS PHARMACEUTICALS, INC.; LEMIEUX, Rene M.; POPOVICI-MULLER, Janeta; TRAVINS, Jeremy; CAI, Zhenwei; CUI, Dawei; ZHOU, Ding Patent: WO2013/107291 A1, 2013 ; Location in patent: Page/Page column 64 ;
  • Route3

    References

    • sanofi-aventis Patent: US2008/269170 A1, 2008 ; Location in patent: Page/Page column 62 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   3.089
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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