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CS-W001157 4
Total: USD 88.00

Phenyl nicotinate

  • CAS No. 3468-53-9

  • Cat. No. CS-0086599
  • Purity≥98%
  • MDL No.MFCD00023581

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

Phenyl nicotinate|CS-0086599

Structure of 3468-53-9

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General Information

  • CAS No. 3468-53-9
  • Cat. No. CS-0086599
  • Purity ≥98%
  • MDL No. MFCD00023581
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO₂
  • Molecular Weight 199.21
  • Synonym(s) 3-phenoxycarbonylpyridine
  • SMILES O=C(OC1=CC=CC=C1)C2=CC=CN=C2

Synthesis

  • Route1
    • null|null
      500-22-1
    • null|null
      108-95-2
    • ~33%
    • Phenyl nicotinate|CS-0086599
      3468-53-9

    References

    • Zhang, Manli; Zhang, Shouhui; Zhang, Guoying; Chen, Fan; Cheng, Jiang Tetrahedron Letters, 2011 , vol. 52, # 19 p. 2480 - 2483
  • Route2

    References

    • Ueda, Tsuyoshi; Konishi, Hideyuki; Manabe, Kei Organic Letters, 2012 , vol. 14, # 12 p. 3100 - 3103
  • Route3
    • null|null
      20260-53-1
    • null|null
      108-95-2
    • ~90%
    • Phenyl nicotinate|CS-0086599
      3468-53-9

    References

    • Yang, Tianle; Chan, Noel Yan-Ki; Sauve, Anthony A. Journal of Medicinal Chemistry, 2007 , vol. 50, # 26 p. 6458 - 6461

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H317-H318-H335
Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.3008
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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