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CS-W001157 4
Total: USD 88.00

6-(Ethoxycarbonyl)nicotinic acid

  • CAS No. 17874-78-1

  • Cat. No. CS-0318407
  • Purity≥95%
  • MDL No.None

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

6-(Ethoxycarbonyl)nicotinic acid|CS-0318407

Structure of 17874-78-1

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General Information

  • CAS No. 17874-78-1
  • Cat. No. CS-0318407
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) pyridine-2,5-dicarboxylic acid 2-ethyl ester
  • SMILES CCOC(=O)C1=NC=C(C=C1)C(=O)O

Synthesis

  • Route1
    • 2,5-Pyridinedicarboxylic acid Nicotinic Acid  Impurity|CS-0229402
      100-26-5
    • null|null
      64-17-5
    • ~45%
    • 6-(Ethoxycarbonyl)nicotinic acid|CS-0318407
      17874-78-1

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2008/11131 A2, 2008 ; Location in patent: Page/Page column 255 ; WO 2008/011131 A2
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 60, # 26 p. 8414 - 8416

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+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   76.49
  • LogP   0.9565
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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