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7-Ethoxy-4-hydroxyquinoline-3-carbonitrile

  • CAS No. 214476-07-0

  • Cat. No. CS-B0035
  • Purity≥95%
  • MDL No.None

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

7-Ethoxy-4-hydroxyquinoline-3-carbonitrile|CS-B0035

Structure of 214476-07-0

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General Information

  • CAS No. 214476-07-0
  • Cat. No. CS-B0035
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₂O₂
  • Molecular Weight 214.22
  • Synonym(s) 3-Cyano-7-ethoxy-4-hydroxyquinoline
  • SMILES N#CC1=C(O)C(C(N=C1)=C2)=CC=C2OCC

Synthesis

  • Route1

    References

    • American Cyanamid Company Patent: US6002008 A1, 1999 ; US 6002008 A
  • Route2

    References

    • Wyeth Holdings Corporation Patent: EP1117659 B1, 2003 ; Location in patent: Page 51 ;
  • Route3
    • null|null
      621-33-0
    • ~%
    • 7-Ethoxy-4-hydroxyquinoline-3-carbonitrile|CS-B0035
      214476-07-0

    References

    • Wissner, Allan; Overbeek, Elsebe; Reich, Marvin F.; Floyd, M. Brawner; Johnson, Bernard D.; Mamuya, Nellie; Rosfjord, Edward C.; Discafani, Carolyn; Davis, Rachel; Shi, Xiaoqing; Rabindran, Sridhar K.; Gruber, Brian C.; Ye, Fei; Hallett, William A.; Nilakantan, Ramaswamy; Shen, Ru; Wang, Yu-Fen; Greenberger, Lee M.; Tsou, Hwei-Ru Journal of Medicinal Chemistry, 2003 , vol. 46, # 1 p. 49 - 63

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

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Computational Chemistry Data

  • TPSA   66.14
  • LogP   2.21078
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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