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CS-W001157 4
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Ethyl 2,3-dihydroxyisonicotinate

  • CAS No. 500372-11-2

  • Cat. No. CS-0453100
  • Molecule weight183.16
  • Purity≥98%
  • MDL No.None

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

Ethyl 2,3-dihydroxyisonicotinate|CS-0453100

Structure of 500372-11-2

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General Information

  • CAS No. 500372-11-2
  • Cat. No. CS-0453100
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄
  • Molecular Weight 183.16
  • Synonym(s) 1,2-Dihydro-3-hydroxy-2-oxo-4-pyridinecarboxylic acid ethyl ester
  • SMILES CCOC(=O)C1=C(C(=NC=C1)O)O

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY; LLOYD, John; QIAO, Jennifer, X.; FINLAY, Heather; NEELS, James; PI, Zulan; HU, Carol, Hui; WANG, Tammy, C. Patent: WO2013/49104 A1, 2013 ; Location in patent: Paragraph 00152 ;
  • Route2
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    • Ethyl 2,3-dihydroxyisonicotinate|CS-0453100
      500372-11-2

    References

    • LUMIPHORE, INC.; BUTLIN, Nathaniel, G.; RAYMOND, Kenneth, N.; XU, Jide; D'ALEO, Anthony Patent: WO2011/25790 A1, 2011 ; Location in patent: Page/Page column 58 ;

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   79.65
  • LogP   0.6695
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   2

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