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CS-W001157 4
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3-(methoxycarbonyl)-1-methylpyridin-1-ium iodide

  • CAS No. 4685-10-3

  • Cat. No. CS-0468915
  • Purity≥98%
  • MDL No.None

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

3-(methoxycarbonyl)-1-methylpyridin-1-ium iodide|CS-0468915

Structure of 4685-10-3

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General Information

  • CAS No. 4685-10-3
  • Cat. No. CS-0468915
  • Purity ≥98%
  • MDL No. None
  • Storage RT, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀INO₂
  • Molecular Weight 279.07
  • Synonym(s) 3-Methoxycarbonyl-1-methylpyridinium iodide
  • SMILES [I-].O=C(OC)C1=CC=C[N+](=C1)C

Synthesis

  • Route1
    • Methyl nicotinate, ≥99%|CS-1269198
      93-60-7
    • null|null
      74-88-4
    • ~%
    • In-stock
      3-(methoxycarbonyl)-1-methylpyridin-1-ium iodide|CS-0468915
      4685-10-3

    References

    • Lynn, David G.; Lewis, David H.; Tramontano, William A.; Evans, Lance S. Phytochemistry (Elsevier), 1984 , vol. 23, # 6 p. 1225 - 1228
  • Route2

    References

    • Lynn, David G.; Lewis, David H.; Tramontano, William A.; Evans, Lance S. Phytochemistry (Elsevier), 1984 , vol. 23, # 6 p. 1225 - 1228
  • Route3
    • Indole, ≥99%|CS-1268948
      120-72-9
    • ~%
    • In-stock
      3-(methoxycarbonyl)-1-methylpyridin-1-ium iodide|CS-0468915
      4685-10-3
    • null|null
      138687-90-8

    References

    • Lavilla; Gotsens; Bosch Synthesis, 1991 , # 10 p. 842 - 844

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   30.18
  • LogP   -2.6983
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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