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CS-W001157 4
Total: USD 88.00

1-(Pyridin-2-yl)butane-1,3-dione

  • CAS No. 40614-52-6

  • Cat. No. CS-0272116
  • Molecule weight163.17
  • Purity≥98%
  • MDL No.None

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

1-(Pyridin-2-yl)butane-1,3-dione|CS-0272116

Structure of 40614-52-6

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General Information

  • CAS No. 40614-52-6
  • Cat. No. CS-0272116
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 2-Acetoacetylpyridine
  • SMILES CC(=O)CC(=O)C1=CC=CC=N1

Synthesis

  • Route1

    References

    • JAKOBI, Harald; Martelletti, Arianna; Tiebes, Joerg; Dittgen, Jan; Feucht, Dieter; Haeuser-Hahn, Isolde; Kehne, Heinz; Rosinger, Christopher Hugh Patent: US2010/160164 A1, 2010 ; Location in patent: Page/Page column 35 ;
  • Route2
    • In-stock
      Ethyl 2-picolinate|CS-W008053
      2524-52-9
    • null|null
      67-64-1
    • ~%
    • 1-(Pyridin-2-yl)butane-1,3-dione|CS-0272116
      40614-52-6
    • null|null
      215323-58-3

    References

    • Wieprecht, Torsten; Schlingloff, Gunther; Xia, Juntao; Heinz, Uwe; Schneider, Abert; Dubs, Marie-Josee; Bachmann, Frank; Hazekamp, Menno; Dannacher, Josef Patent: US2006/19853 A1, 2006 ; Location in patent: Page/Page column 20 ;
  • Route3

    References

    • Yu, Wei-Shan; Cheng, Chung-Chih; Cheng, Yi-Ming; Wu, Pei-Chi; Song, Yi-Hwa; Chi, Yun; Chou, Pi-Tai Journal of the American Chemical Society, 2003 , vol. 125, # 36 p. 10800 - 10801

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   47.03
  • LogP   1.2434
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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