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CS-W001157 4
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Methyl 3-phenylisonicotinate

  • CAS No. 850162-87-7

  • Cat. No. CS-0458959
  • Molecule weight213.23
  • Purity≥98%
  • MDL No.None

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

Methyl 3-phenylisonicotinate|CS-0458959

Structure of 850162-87-7

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General Information

  • CAS No. 850162-87-7
  • Cat. No. CS-0458959
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₂
  • Molecular Weight 213.23
  • Synonym(s) Methyl 3-phenylpyridine-4-carboxylate
  • SMILES O=C(C1=C(C2=CC=CC=C2)C=NC=C1)OC

Synthesis

  • Route1

    References

    • Stauffer, Kenneth J.; Williams, Peter D.; Selnick, Harold G.; Nantermet, Philippe G.; Newton, Christina L.; Homnick, Carl F.; Zrada, Matthew M.; Lewis, S. Dale; Lucas, Bobby J.; Krueger, Julie A.; Pietrak, Beth L.; Lyle, Elizabeth A.; Singh, Rominder; Miller-Stein, Cynthia; White, Rebecca B.; Wong, Bradley; Wallace, Audrey A.; Sitko, Gary R.; Cook, Jacquelyn J.; Holahan, Marie A.; Stranieri-Michener, Maria; Leonard, Yvonne M.; Lynch Jr., Joseph J.; McMasters, Daniel R.; Yan, Youwei Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2282 - 2293
  • Route2

    References

    • Deb, Arghya; Manna, Srimanta; Maji, Arun; Dutta, Uttam; Maiti, Debabrata European Journal of Organic Chemistry, 2013 , # 24 p. 5251 - 5256
  • Route3

    References

    • Court, J.; Vidal, S.; Bonnier, J. M. Tetrahedron, 1988 , vol. 44, # 21 p. 6623 - 6632

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   39.19
  • LogP   2.5352
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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