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2-(6-Methylpyridin-3-yl)acetonitrile

  • CAS No. 52426-67-2

  • Cat. No. CS-0207777
  • Molecule weight132.16
  • Purity≥98%
  • MDL No.MFCD09923952

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

2-(6-Methylpyridin-3-yl)acetonitrile|CS-0207777

Structure of 52426-67-2

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General Information

  • CAS No. 52426-67-2
  • Cat. No. CS-0207777
  • Purity ≥98%
  • MDL No. MFCD09923952
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂
  • Molecular Weight 132.16
  • Synonym(s) 6-Methyl-3-pyridineacetonitrile
  • SMILES CC1=NC=C(C=C1)CC#N

Synthesis

  • Route1
    • null|null
      773837-37-9
    • null|null
      52426-66-1
    • ~%
    • 2-(6-Methylpyridin-3-yl)acetonitrile|CS-0207777
      52426-67-2

    References

    • MEDIVATION TECHNOLOGIES, INC.; CHAKRAVARTY, Sarvajit; HART, Barry, Patrick; JAIN, Rajendra, Parasmal Patent: WO2011/103460 A1, 2011 ; Location in patent: Page/Page column 228 ;
  • Route2

    References

    • Chen, Chen; Wilcoxen, Keith M.; Huang, Charles Q.; Xie, Yun-Feng; McCarthy, James R.; Webb, Thomas R.; Zhu, Yun-Fei; Saunders, John; Liu, Xin-Jun; Chen, Ta-Kung; Bozigian, Haig; Grigoriadis, Dimitri E. Journal of Medicinal Chemistry, 2004 , vol. 47, # 19 p. 4787 - 4798
  • Route3

    References

    • Chen, Chen; Wilcoxen, Keith M.; Huang, Charles Q.; Xie, Yun-Feng; McCarthy, James R.; Webb, Thomas R.; Zhu, Yun-Fei; Saunders, John; Liu, Xin-Jun; Chen, Ta-Kung; Bozigian, Haig; Grigoriadis, Dimitri E. Journal of Medicinal Chemistry, 2004 , vol. 47, # 19 p. 4787 - 4798

Safety Information

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.4561
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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