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1-(5-Methylpyridin-3-yl)ethan-1-one

  • CAS No. 42972-46-3

  • Cat. No. CS-0101623
  • Purity≥97%
  • MDL No.MFCD11553496

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

1-(5-Methylpyridin-3-yl)ethan-1-one|CS-0101623

Structure of 42972-46-3

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General Information

  • CAS No. 42972-46-3
  • Cat. No. CS-0101623
  • Purity ≥97%
  • MDL No. MFCD11553496
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO
  • Molecular Weight 135.16
  • Synonym(s) 1-(5-methyl-pyridin-3-yl)ethanone
  • SMILES CC(C1=CC(C)=CN=C1)=O

Synthesis

  • Route1

    References

    • SANOFI; EL-AHMAD, Youssef; FILOCHE-ROMME, Bruno; GANZHORM, Axel; MARCINIAK, Gilbert; MUZET, Nicolas; RONAN, Baptiste; VIVET, Bertrand; ZERR, Véronique Patent: WO2013/190123 A1, 2013 ; Location in patent: Page/Page column 46 ;
  • Route2

    References

    • MERCK SHARP and DOHME CORP.; LI, Dansu; ROECKER, Anthony, J. Patent: WO2013/62858 A1, 2013 ; Location in patent: Page/Page column 38 ;
  • Route3
    • In-stock
      5-Methylnicotinonitrile|CS-0062464
      42885-14-3
    • null|null
      75-16-1
    • ~29%
    • In-stock
      1-(5-Methylpyridin-3-yl)ethan-1-one|CS-0101623
      42972-46-3

    References

    • IRM LLC; NOVARTIS AG; LI, Xiaolin; LIU, Xiaodong; MOLTENI, Valentina; CHIANELLI, Donatella; LOREN, Jon; NABAKKA, Juliet Patent: WO2008/137794 A1, 2008 ; Location in patent: Page/Page column 31-32 ; WO 2008/137794 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H312-H315-H320-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   1.59262
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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