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2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinonitrile

  • CAS No. 944401-73-4

  • Cat. No. CS-0321682
  • Purity98+%
  • MDL No.None

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

2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinonitrile|CS-0321682

Structure of 944401-73-4

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General Information

  • CAS No. 944401-73-4
  • Cat. No. CS-0321682
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆BN₃O₂
  • Molecular Weight 245.09
  • Synonym(s) 6-Amino-4-cyanopyridine-3-boronic acid pinacol ester
  • SMILES N#CC1=CC(N)=NC=C1B2OC(C)(C)C(C)(C)O2

Synthesis

  • Route1

    References

    • NOVARTIS AG Patent: WO2007/84786 A1, 2007 ; Location in patent: Page/Page column 104 ; WO 2007/084786 A1
  • Route2
    • null|null
      944402-16-8
    • ~%
    • 2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinonitrile|CS-0321682
      944401-73-4

    References

    • Burger, Matthew T.; Pecchi, Sabina; Wagman, Allan; Ni, Zhi-Jie; Knapp, Mark; Hendrickson, Thomas; Atallah, Gordana; Pfister, Keith; Zhang, Yanchen; Bartulis, Sarah; Frazier, Kelly; Ng, Simon; Smith, Aaron; Verhagen, Joelle; Haznedar, Joshua; Huh, Kay; Iwanowicz, Ed; Xin, Xiaohua; Menezes, Daniel; Merritt, Hanne; Lee, Isabelle; Wiesmann, Marion; Kaufman, Susan; Crawford, Kenneth; Chin, Michael; Bussiere, Dirksen; Shoemaker, Kevin; Zaror, Isabel; Maira, Sauveur-Michel; Voliva, Charles F. ACS Medicinal Chemistry Letters, 2011 , vol. 2, # 10 p. 774 - 779

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   81.16
  • LogP   0.83468
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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