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(S)-4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide

  • CAS No. 376348-77-5

  • Cat. No. CS-0451826
  • Purity≥98%
  • MDL No.None

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

(S)-4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide|CS-0451826

Structure of 376348-77-5

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General Information

  • CAS No. 376348-77-5
  • Cat. No. CS-0451826
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₁F₂NO₂
  • Molecular Weight 297.34
  • Synonym(s) Cyclohexanecarboxamide, 4,4-difluoro- N-[(1S)-3-hydroxy-1-phenylpropyl]-
  • SMILES C(N[C@H](C=1C=CC=CC1)CCO)(C2CCC(CC2)(F)F)=O

Synthesis

  • Route1

    References

    • ASTRAZENECA AB Patent: WO2006/1752 A1, 2006 ; Location in patent: Page/Page column 70 ; WO 2006/001752 A1
  • Route2
    • null|null
      376348-78-6
    • ~%
    • (S)-4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide|CS-0451826
      376348-77-5

    References

    • Zhao, Gui-Ling; Lin, Shuangzheng; Korotvicka, Ales; Deiana, Luca; Kullberg, Martin; Cordova, Armando Advanced Synthesis and Catalysis, 2010 , vol. 352, # 13 p. 2291 - 2298
  • Route3

    References

    • Ahman, Jens; Birch, Melissa; Haycock-Lewandowski, Sarah J.; Long, James; Wilder, Alexander Organic Process Research and Development, 2008 , vol. 12, # 6 p. 1104 - 1113

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   3.0518
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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