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CS-W001157 4
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N,N-Diethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide

  • CAS No. 911227-46-8

  • Cat. No. CS-0176001
  • Purity95+%
  • MDL No.None

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

N,N-Diethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide|CS-0176001

Structure of 911227-46-8

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General Information

  • CAS No. 911227-46-8
  • Cat. No. CS-0176001
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₅BN₂O₃
  • Molecular Weight 304.19
  • Synonym(s) N,N-diethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
  • SMILES CCN(C(C1=NC=C(B2OC(C)(C(C)(O2)C)C)C=C1)=O)CC

Synthesis

  • Route1

    References

    • Bourdonnec, Bertrand Le; Windh, Rolf T.; Leister, Lara K.; Zhou, Q. Jean; Ajello, Christopher W.; Gu, Minghua; Chu, Guo-Hua; Tuthill, Paul A.; Barker, William M.; Koblish, Michael; Wiant, Daniel D.; Graczyk, Thomas M.; Belanger, Serge; Cassel, Joel A.; Feschenko, Marina S.; Brogdon, Bernice L.; Smith, Steven A.; Derelanko, Michael J.; Kutz, Steve; Little, Patrick J.; Dehaven, Robert N.; DeHaven-Hudkins, Diane L.; Dolle, Roland E. Journal of Medicinal Chemistry, 2009 , vol. 52, # 18 p. 5685 - 5702
  • Route2
    • 5-Bromo-N,N-diethylpicolinamide|CS-0152037
      673485-54-6
    • ~50%
    • N,N-Diethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide|CS-0176001
      911227-46-8

    References

    • ADOLOR CORPORATION Patent: WO2006/105442 A2, 2006 ; Location in patent: Page/Page column 142; 297 ; WO 2006/105442 A2
  • Route3

    References

    • Hurst, Timothy E.; Macklin, Todd K.; Becker, Maike; Hartmann, Eduard; Kuegel, Wolfgang; Parisienne-LaSalle, Jean-Christophe; Batsanov, Andrei S.; Marder, Todd B.; Snieckus, Victor Chemistry - A European Journal, 2010 , vol. 16, # 27 p. 8155 - 8161

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   51.66
  • LogP   1.8628
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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