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CS-W001157 4
Total: USD 88.00

1-(Pyridin-3-yl)pentan-1-one

  • CAS No. 1701-72-0

  • Cat. No. CS-0357971
  • Purity95+%
  • MDL No.None

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

1-(Pyridin-3-yl)pentan-1-one|CS-0357971

Structure of 1701-72-0

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General Information

  • CAS No. 1701-72-0
  • Cat. No. CS-0357971
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO
  • Molecular Weight 163.22
  • Synonym(s) 3-Valerylpyridine
  • SMILES CCCCC(=O)C1=CN=CC=C1

Synthesis

  • Route1
    • null|null
      18085-86-4
    • ~83%
    • 1-(Pyridin-3-yl)pentan-1-one|CS-0357971
      1701-72-0

    References

    • Mei, Zhen-Wu; Omote, Takumi; Mansour, Mounir; Kawafuchi, Hiroyuki; Takaguchi, Yutaka; Jutand, Anny; Tsuboi, Sadao; Inokuchi, Tsutomu Tetrahedron, 2008 , vol. 64, # 47 p. 10761 - 10766
  • Route2
    • Methyl nicotinate, ≥99%|CS-1269198
      93-60-7
    • ~%
    • 1-(Pyridin-3-yl)pentan-1-one|CS-0357971
      1701-72-0

    References

    • Harris et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 3959,3960, 3962
  • Route3
    • null|null
      62485-87-4
    • null|null
      64531-95-9
    • ~38%
    • 1-(Pyridin-3-yl)pentan-1-one|CS-0357971
      1701-72-0

    References

    • Friour, G.; Cahiez, G.; Normant, J. F. Synthesis, 1985 , # 1 p. 50 - 54

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

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.4545
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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