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6-Methoxy-5-methyl-3-pyridinecarbonitrile

  • CAS No. 1033439-60-9

  • Cat. No. CS-0195670
  • Molecule weight148.16
  • Purity95+%
  • MDL No.None

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

6-Methoxy-5-methyl-3-pyridinecarbonitrile|CS-0195670

Structure of 1033439-60-9

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General Information

  • CAS No. 1033439-60-9
  • Cat. No. CS-0195670
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O
  • Molecular Weight 148.16
  • Synonym(s) 6-Methoxy-5-methylnicotinonitrile
  • SMILES CC1=CC(=CN=C1OC)C#N

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GmbH and CO KG Patent: WO2008/67644 A1, 2008 ; Location in patent: Page/Page column 39; 40 ;
  • Route2

    References

    • Tremblay, Martin; Bonneau, Pierre; Bousquet, Yves; Deroy, Patrick; Duan, Jianmin; Duplessis, Martin; Gagnon, Alexandre; Garneau, Michel; Goudreau, Nathalie; Guse, Ingrid; Hucke, Oliver; Kawai, Stephen H.; Lemke, Christopher T.; Mason, Stephen W.; Simoneau, Bruno; Surprenant, Simon; Titolo, Steve; Yoakim, Christiane Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7512 - 7517
  • Route3

    References

    • Tremblay, Martin; Bonneau, Pierre; Bousquet, Yves; Deroy, Patrick; Duan, Jianmin; Duplessis, Martin; Gagnon, Alexandre; Garneau, Michel; Goudreau, Nathalie; Guse, Ingrid; Hucke, Oliver; Kawai, Stephen H.; Lemke, Christopher T.; Mason, Stephen W.; Simoneau, Bruno; Surprenant, Simon; Titolo, Steve; Yoakim, Christiane Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7512 - 7517

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   45.91
  • LogP   1.2703
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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