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2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile

  • CAS No. 1073354-05-8

  • Cat. No. CS-0174439
  • Purity≥95%
  • MDL No.None

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

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile|CS-0174439

Structure of 1073354-05-8

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General Information

  • CAS No. 1073354-05-8
  • Cat. No. CS-0174439
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇BN₂O₃
  • Molecular Weight 260.10
  • Synonym(s) 5-Cyano-6-methoxypyridine-3-boronic acid pinacol ester
  • SMILES CC1(C(C)(OB(O1)C2=CN=C(OC)C(C#N)=C2)C)C

Synthesis

  • Route1

    References

    • NOVARTIS AG; COOKE, Nigel Graham; FERNANDES GOMES DOS SANTOS, Paulo Antonio; FURET, Pascal; HEBACH, Christina; HÖGENAUER, Klemens; HOLLINGWORTH, Gregory; KALIS, Christoph; LEWIS, Ian; SMITH, Alexander Baxter; SOLDERMANN, Nicolas; STAUFFER, Frédéric; STRANG, Ross; STOWASSER, Frank; TUFILLI, Nicola; VON MATT, Anette; WOLF, Romain; ZECRI, Frédéric Patent: WO2013/88404 A1, 2013 ; Location in patent: Page/Page column 97 ;

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   64.37
  • LogP   1.26108
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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